Mrv1652305271900272D          

  6  6  0  0  0  0            999 V2000
   26.3564  -10.7234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.0708  -11.9609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7854  -10.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0708  -10.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7854  -11.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3564  -11.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB023153

> <DATABASE_NAME>
foodb

> <SMILES>
C1=CN=CN=C1

> <INCHI_IDENTIFIER>
InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H

> <INCHI_KEY>
CZPWVGJYEJSRLH-UHFFFAOYSA-N

> <FORMULA>
C4H4N2

> <MOLECULAR_WEIGHT>
80.088

> <EXACT_MASS>
80.037448138

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
7.618895366217213

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pyrimidine

> <ALOGPS_LOGP>
-0.21

> <JCHEM_LOGP>
0.049735456000000094

> <ALOGPS_LOGS>
0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.580976790148238

> <JCHEM_POLAR_SURFACE_AREA>
25.78

> <JCHEM_REFRACTIVITY>
22.722299999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.70e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pyrimidine

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB023153

> <GENERIC_NAME>
Pyrimidine

$$$$