Mrv1652304272018322D          

 11 12  0  0  0  0            999 V2000
   -0.0532    2.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093    1.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3884    1.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2247    2.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1809    0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5678   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005552

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=CC(C)=C2NN=CC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C9H10N2/c1-6-3-7(2)9-8(4-6)5-10-11-9/h3-5H,1-2H3,(H,10,11)

> <INCHI_KEY>
VHRWRRDBAJITLR-UHFFFAOYSA-N

> <FORMULA>
C9H10N2

> <MOLECULAR_WEIGHT>
146.193

> <EXACT_MASS>
146.08439833

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
16.31226461928245

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dimethyl-1H-indazole

> <ALOGPS_LOGP>
2.33

> <JCHEM_LOGP>
2.323150467

> <ALOGPS_LOGS>
-1.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.78231436304051

> <JCHEM_PKA_STRONGEST_BASIC>
2.251198193370126

> <JCHEM_POLAR_SURFACE_AREA>
28.68

> <JCHEM_REFRACTIVITY>
46.155499999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.77e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dimethyl-1H-indazole

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005552

> <GENERIC_NAME>
5,7-Dimethyl-1H-indazole

$$$$