752
  Mrv0541 02231214582D          

 10 11  0  0  1  0            999 V2000
    3.4916    1.5453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9520    1.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -0.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D2881

> <DATABASE_NAME>
t3db

> <SMILES>
N[C@@H]1CC1C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8?,9-/m1/s1

> <INCHI_KEY>
AELCINSCMGFISI-YGPZHTELSA-N

> <FORMULA>
C9H11N

> <MOLECULAR_WEIGHT>
133.1903

> <EXACT_MASS>
133.089149357

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
15.334201185763868

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R)-2-phenylcyclopropan-1-amine

> <ALOGPS_LOGP>
1.50

> <JCHEM_LOGP>
1.338882470333333

> <ALOGPS_LOGS>
-1.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.622454981560159

> <JCHEM_POLAR_SURFACE_AREA>
26.02

> <JCHEM_REFRACTIVITY>
41.696600000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.49e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tranylcypromine sulfate

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D2881

> <NAME>
Tranylcypromine

> <CAS>
155-09-9

> <SYNONYMS>
Jatrosom; Parnate; Tranilcipromina; Transamine; Tranylcypromin; Tranylcyprominum

> <TYPES>
Organic Compound; Amine; Drug; Anti-Anxiety Agent; Antidepressant; Metabolite; Monoamine Oxidase Inhibitor; Synthetic Compound; Antidepressive Agent

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