Mrv1572004221606572D          

 18 18  0  0  0  0            999 V2000
   -2.7738   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0594   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6304   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5130    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6304   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5130    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3449   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0841   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5166    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  8  7  1  0  0  0  0
 11  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 13 12  1  0  0  0  0
 14  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15  2  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001262

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.CCOC1=CC=CC=C1OCC1CNCCO1

> <INCHI_IDENTIFIER>
InChI=1S/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H

> <INCHI_KEY>
HJOCKFVCMLCPTP-UHFFFAOYSA-N

> <FORMULA>
C13H20ClNO3

> <MOLECULAR_WEIGHT>
273.76

> <EXACT_MASS>
273.1131712

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
26.203517279402888

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(2-ethoxyphenoxy)methyl]morpholine hydrochloride

> <ALOGPS_LOGP>
1.71

> <JCHEM_LOGP>
1.4915744426666662

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.19456910713374

> <JCHEM_POLAR_SURFACE_AREA>
39.72

> <JCHEM_REFRACTIVITY>
65.20210000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.24e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
viloxazine hydrochloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT001262

> <NAME>
Viloxazine hydrochloride

> <DRUG_DRUGBANK_ID>
DB09185

> <DRUG_NAME>
Viloxazine

> <CAS_NUMBER>
35604-67-2

> <UNII>
OQW30I1332

$$$$