Mrv1718008311812292D          

 12 11  0  0  0  0            999 V2000
    0.4486   -0.3907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2605    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4027   -0.1833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9746    0.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486    0.4197    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1434   -0.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6935    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9746   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1530    0.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4027    0.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6935   -0.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4027   -0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  6  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT000734

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.CN[C@@H](C)CC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H/t9-;/m0./s1

> <INCHI_KEY>
TWXDDNPPQUTEOV-FVGYRXGTSA-N

> <FORMULA>
C10H16ClN

> <MOLECULAR_WEIGHT>
185.7

> <EXACT_MASS>
185.0971272

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
18.03054640697615

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl[(2S)-1-phenylpropan-2-yl]amine hydrochloride

> <ALOGPS_LOGP>
2.23

> <JCHEM_LOGP>
2.2368308753333324

> <ALOGPS_LOGS>
-2.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.20988414728296

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
48.47980000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.28e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methamphetamine hydrochloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT000734

> <NAME>
Metamfetamine hydrochloride

> <DRUG_DRUGBANK_ID>
DB01577

> <DRUG_NAME>
Metamfetamine

> <CAS_NUMBER>
51-57-0

> <UNII>
997F43Z9CV

$$$$