Mrv1652304272019322D          

 15 16  0  0  0  0            999 V2000
   -5.8251   -0.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0405   -0.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4274   -0.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6428   -0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0297   -0.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2451   -0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7182    0.9920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320    0.1715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB006122

> <DATABASE_NAME>
CDB

> <SMILES>
CCCC\C=C\N1N=CC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C13H16N2/c1-2-3-4-7-10-15-13-9-6-5-8-12(13)11-14-15/h5-11H,2-4H2,1H3/b10-7+

> <INCHI_KEY>
WCBGWCOUIPYXID-JXMROGBWSA-N

> <FORMULA>
C13H16N2

> <MOLECULAR_WEIGHT>
200.285

> <EXACT_MASS>
200.131348523

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
24.225236606034933

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[(1E)-hex-1-en-1-yl]-1H-indazole

> <ALOGPS_LOGP>
4.00

> <JCHEM_LOGP>
3.6449991436666673

> <ALOGPS_LOGS>
-3.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.1955318454930188

> <JCHEM_POLAR_SURFACE_AREA>
17.82

> <JCHEM_REFRACTIVITY>
74.45779999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.77e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[(1E)-hex-1-en-1-yl]indazole

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006122

> <GENERIC_NAME>
N-(1-hexenyl)2-azaindole

$$$$