Mrv1652304272019162D          

  9  9  0  0  0  0            999 V2000
    2.0625    2.1435    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
    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  3  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005974

> <DATABASE_NAME>
CDB

> <SMILES>
CON=C1C=CNC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C6H8N2O/c1-9-8-6-2-4-7-5-3-6/h2-5H,1H3,(H,7,8)

> <INCHI_KEY>
BCHJWDTWPFGTGI-UHFFFAOYSA-N

> <FORMULA>
C6H8N2O

> <MOLECULAR_WEIGHT>
124.143

> <EXACT_MASS>
124.063662886

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
12.928812227961991

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-methoxy-1,4-dihydropyridin-4-imine

> <ALOGPS_LOGP>
0.12

> <JCHEM_LOGP>
0.6611921593333333

> <ALOGPS_LOGS>
-0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.796169248205903

> <JCHEM_PKA_STRONGEST_BASIC>
7.237192559793816

> <JCHEM_POLAR_SURFACE_AREA>
33.620000000000005

> <JCHEM_REFRACTIVITY>
35.9204

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.10e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-methoxy-1H-pyridin-4-imine

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005974

> <GENERIC_NAME>
N-Methoxypyridin-4-amine

$$$$