Mrv1572004221603052D          

 16 15  0  0  0  0            999 V2000
   -1.8372    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8372    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1227    1.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3062    1.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1227   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207   -2.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207   -1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3062   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7351   -2.5929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3062   -0.9429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7387    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.2429    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM016359

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.Cl.NCCNC1=CC=CC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H

> <INCHI_KEY>
MZNYWPRCVDMOJG-UHFFFAOYSA-N

> <FORMULA>
C12H16Cl2N2

> <MOLECULAR_WEIGHT>
259.17

> <EXACT_MASS>
258.0690539

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
21.633800939839176

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N1-(naphthalen-1-yl)ethane-1,2-diamine dihydrochloride

> <ALOGPS_LOGP>
2.35

> <JCHEM_LOGP>
1.638516891333333

> <ALOGPS_LOGS>
-3.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.616409724202432

> <JCHEM_POLAR_SURFACE_AREA>
38.05

> <JCHEM_REFRACTIVITY>
60.65180000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.60e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(1-naphthyl)ethylenediamine dihydrochloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
N-(1-Naphthyl)ethylenediamine dihydrochloride

> <CAS>
1465-25-4

> <SYNONYMS>
N1-(naphthalen-1-yl)ethane-1,2-diamine dihydrochloride

$$$$