Mrv1572004021621592D          

 30 31  0  0  0  0            999 V2000
   -1.4325   -1.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4325   -2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1550   -0.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1550   -2.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8525   -1.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8525   -2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5751   -2.4913    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1550   -0.0249    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7100   -0.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0124   -1.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100   -0.8470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100   -0.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4325    0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0124    0.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0124    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6602    1.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4110    2.4913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6602    1.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4110    2.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8525    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8525    0.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1550    1.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1550   -0.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4325    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5751    1.6193    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1550   -0.8470    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5111    1.6542    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.5111    2.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2231    1.2431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7990    1.2431    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  9  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  8  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 18 15  1  0  0  0  0
 17 16  2  0  0  0  0
 19 17  1  0  0  0  0
 19 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 25 20  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  1  0  0  0  0
 26 23  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  CHG  2  27   1  30  -1
M  END
> <DATABASE_ID>
DBSALT000892

> <DATABASE_NAME>
drugbank

> <SMILES>
O[N+]([O-])=O.ClC1=CC(Cl)=C(CO\N=C(/CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H13Cl4N3O.HNO3/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11H,9-10H2;(H,2,3,4)/b24-18+;

> <INCHI_KEY>
WVNOAGNOIPTWPT-NDUABGMUSA-N

> <FORMULA>
C18H14Cl4N4O4

> <MOLECULAR_WEIGHT>
492.13

> <EXACT_MASS>
489.9769157

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
40.79437020696298

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(Z)-[1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethylidene][(2,4-dichlorophenyl)methoxy]amine; nitric acid

> <ALOGPS_LOGP>
5.28

> <JCHEM_LOGP>
5.838766547333333

> <ALOGPS_LOGS>
-5.35

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
6.738241434816746

> <JCHEM_POLAR_SURFACE_AREA>
39.41

> <JCHEM_REFRACTIVITY>
105.94699999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.91e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nitric acid; salongo

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT000892

> <NAME>
Oxiconazole nitrate

> <DRUG_DRUGBANK_ID>
DB00239

> <DRUG_NAME>
Oxiconazole

> <CAS_NUMBER>
64211-46-7

> <UNII>
RQ8UL4C17S

$$$$