Mrv1572004221603102D          

 13 13  0  0  0  0            999 V2000
    1.4289    1.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -1.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020   -1.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3819   -1.0863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470   -1.0863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4325    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  7  6  1  0  0  0  0
  9  4  2  0  0  0  0
  9  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12  7  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT000948

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.C(C1=NCCN1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H12N2.ClH/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H

> <INCHI_KEY>
RHTNTTODYGNRSP-UHFFFAOYSA-N

> <FORMULA>
C10H13ClN2

> <MOLECULAR_WEIGHT>
196.68

> <EXACT_MASS>
196.0767261

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.976114462551916

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-benzyl-4,5-dihydro-1H-imidazole hydrochloride

> <ALOGPS_LOGP>
2.05

> <JCHEM_LOGP>
1.2036401929999996

> <ALOGPS_LOGS>
-2.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.2476773435235

> <JCHEM_POLAR_SURFACE_AREA>
24.39

> <JCHEM_REFRACTIVITY>
49.069300000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.36e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tolazoline hydrochloride

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBSALT000948

> <NAME>
Tolazoline hydrochloride

> <DRUG_DRUGBANK_ID>
DB00797

> <DRUG_NAME>
Tolazoline

> <CAS_NUMBER>
59-97-2

> <UNII>
E669Z6S1JG

$$$$