Mrv0541 08221314202D          

 13 13  0  0  0  0            999 V2000
   -1.6076    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5359    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786    0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5359   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503   -1.7531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.7219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5359   -1.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503   -0.1031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4896    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  2  0  0  0  0
  6  5  1  0  0  0  0
  7  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  5  2  0  0  0  0
 11  8  2  0  0  0  0
 11  9  1  4  0  0  0
 12  8  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT000792

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.NN=C1NN=CC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5H,9H2,(H,11,12);1H

> <INCHI_KEY>
ZUXNZUWOTSUBMN-UHFFFAOYSA-N

> <FORMULA>
C8H9ClN4

> <MOLECULAR_WEIGHT>
196.637

> <EXACT_MASS>
196.051574015

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.14381084117800486

> <JCHEM_AVERAGE_POLARIZABILITY>
16.091799701389377

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-hydrazinylidene-1,2-dihydrophthalazine hydrochloride

> <ALOGPS_LOGP>
0.78

> <JCHEM_LOGP>
0.828074748

> <ALOGPS_LOGS>
-2.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.80353079593057

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.980409881338744

> <JCHEM_PKA_STRONGEST_BASIC>
6.225650341271381

> <JCHEM_POLAR_SURFACE_AREA>
62.769999999999996

> <JCHEM_REFRACTIVITY>
59.33360000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.59e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT000792

> <NAME>
Hydralazine hydrochloride

> <DRUG_DRUGBANK_ID>
DB01275

> <DRUG_NAME>
Hydralazine

> <CAS_NUMBER>
304-20-1

> <UNII>
FD171B778Y

$$$$