Mrv1572004221603372D          

 16 17  0  0  0  0            999 V2000
    2.1434   -0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.9350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 11  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001053

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.N=C1C2=C(CCCC2)NC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C13H14N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H

> <INCHI_KEY>
ZUFVXZVXEJHHBN-UHFFFAOYSA-N

> <FORMULA>
C13H15ClN2

> <MOLECULAR_WEIGHT>
234.73

> <EXACT_MASS>
234.0923762

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
22.72806191878415

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,2,3,4,9,10-hexahydroacridin-9-imine hydrochloride

> <ALOGPS_LOGP>
2.39

> <JCHEM_LOGP>
2.4135798223333333

> <ALOGPS_LOGS>
-3.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.913854580911018

> <JCHEM_PKA_STRONGEST_BASIC>
12.413836265276272

> <JCHEM_POLAR_SURFACE_AREA>
35.88

> <JCHEM_REFRACTIVITY>
74.9897

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.35e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cognex hydrochloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT001053

> <NAME>
Tacrine Hydrochloride

> <DRUG_DRUGBANK_ID>
DB00382

> <DRUG_NAME>
Tacrine

> <CAS_NUMBER>
1684-40-8

> <UNII>
4966RNG0BU

$$$$