Mrv1572004221603002D          

 17 18  0  0  0  0            999 V2000
    0.8150   -2.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1006   -1.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721    0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270    0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0651    1.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -0.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9259    0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3738   -0.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8640    1.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6709    0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5131    0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3119    0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7680   -0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5669   -0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2230    1.4843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1006   -0.8399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  8  7  2  0  0  0  0
 10  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  6  2  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15 10  1  0  0  0  0
 16  2  1  0  0  0  0
 16 13  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM016224

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl.CCN1C2=CC=CC=C2C2=C1C=CC(N)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C14H14N2.ClH/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16;/h3-9H,2,15H2,1H3;1H

> <INCHI_KEY>
UUYSTZWIFZYHRM-UHFFFAOYSA-N

> <FORMULA>
C14H15ClN2

> <MOLECULAR_WEIGHT>
246.74

> <EXACT_MASS>
246.0923762

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
24.33097545124717

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
9-ethyl-9H-carbazol-3-amine hydrochloride

> <ALOGPS_LOGP>
3.65

> <JCHEM_LOGP>
2.8424437556666664

> <ALOGPS_LOGS>
-3.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
3.4654347423333998

> <JCHEM_POLAR_SURFACE_AREA>
30.95

> <JCHEM_REFRACTIVITY>
67.8179

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.66e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-amino-9-ethylcarbazole hydrochloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
3-Amino-9-ethylcarbazole hydrochloride

> <CAS>
6109-97-3

$$$$