Mrv0541 09071422382D          

 21 25  0  0  0  0            999 V2000
    3.1927   -1.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8769    0.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9893   -0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2363    0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6087   -0.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7470    1.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2020    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4658    0.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    0.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8466    2.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501    1.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0761    3.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8214    0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9765    1.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3359    1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467    1.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4355    2.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8307    1.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5654    1.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    2.6988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  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
 11  9  2  0  0  0  0
 12 10  2  0  0  0  0
 13  5  2  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 15 13  1  0  0  0  0
 16  8  2  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 20 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  0  0  0  0
 21 18  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D4627

> <DATABASE_NAME>
t3db

> <SMILES>
N1C2=C(C3=C1C=CC1=CC=CC=C31)C1=CC=CC=C1C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H

> <INCHI_KEY>
STJXCDGCXVZHDU-UHFFFAOYSA-N

> <FORMULA>
C20H13N

> <MOLECULAR_WEIGHT>
267.3239

> <EXACT_MASS>
267.104799421

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
30.521248738952302

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
12-azapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁶,²¹]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

> <ALOGPS_LOGP>
6.34

> <JCHEM_LOGP>
5.0698392026666665

> <ALOGPS_LOGS>
-7.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.61996018391195

> <JCHEM_POLAR_SURFACE_AREA>
15.79

> <JCHEM_REFRACTIVITY>
86.37260000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.86e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7H-dibenzo(C,G)carbazole

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D4627

> <NAME>
7H-Dibenzo[c,g]carbazole

> <CAS>
194-59-2

> <TYPES>
Organic Compound; Lachrymator; Cigarette Toxin; Natural Compound

$$$$