Mrv1533004261515232D          

 15 14  0  0  0  0            999 V2000
    0.2858   -1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287   -1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287   -0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2858   -0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0003   -0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0003   -1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2858    0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287    1.8975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1432    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5360   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT000954

> <DATABASE_NAME>
drugbank

> <SMILES>
OS(O)(=O)=O.NNCCC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H12N2.H2O4S/c9-10-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,10H,6-7,9H2;(H2,1,2,3,4)

> <INCHI_KEY>
RXBKMJIPNDOHFR-UHFFFAOYSA-N

> <FORMULA>
C8H14N2O4S

> <MOLECULAR_WEIGHT>
234.27

> <EXACT_MASS>
234.067428113

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
15.792139996103561

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2-phenylethyl)hydrazine; sulfuric acid

> <ALOGPS_LOGP>
1.20

> <JCHEM_LOGP>
1.2030200426666668

> <ALOGPS_LOGS>
-1.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.552264894779207

> <JCHEM_POLAR_SURFACE_AREA>
38.05

> <JCHEM_REFRACTIVITY>
54.26330000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.11e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenelzine; sulfuric acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT000954

> <NAME>
Phenelzine sulfate

> <DRUG_DRUGBANK_ID>
DB00780

> <DRUG_NAME>
Phenelzine

> <CAS_NUMBER>
156-51-4

> <UNII>
2681D7P965

$$$$