Mrv1572004221604562D          

 17 18  0  0  0  0            999 V2000
   -2.6459    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6459   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9314    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9314   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5025    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9466   -0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5341    0.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5025   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9264   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6409   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3946   -0.6772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7271    0.4788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    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
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
 11  5  1  0  0  0  0
 11  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 13  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 15 14  2  0  0  0  0
 16  8  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM018555

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.C(C1=NCCN1)C1=CC2=CC=CC=C2C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C14H14N2.ClH/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14;/h1-6,9H,7-8,10H2,(H,15,16);1H

> <INCHI_KEY>
UJPYMIOQGFLTEG-UHFFFAOYSA-N

> <FORMULA>
C14H15ClN2

> <MOLECULAR_WEIGHT>
246.74

> <EXACT_MASS>
246.0923762

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
23.822766433929324

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(naphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole hydrochloride

> <ALOGPS_LOGP>
3.45

> <JCHEM_LOGP>
2.1931169496666665

> <ALOGPS_LOGS>
-3.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.231433447258743

> <JCHEM_POLAR_SURFACE_AREA>
24.39

> <JCHEM_REFRACTIVITY>
65.51950000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.68e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole hydrochloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Naphazoline hydrochloride

> <CAS>
550-99-2

$$$$