Mrv0541 02231219082D          

 10 11  0  0  0  0            999 V2000
   12.2612  -10.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8487   -9.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3237   -9.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3237   -8.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4987   -9.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0862   -8.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7362   -8.9099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0862  -10.3389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2612   -8.9099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4987   -8.1954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB000390

> <DATABASE_NAME>
M2MDB

> <SMILES>
C1CN=C2N=CN=CC2=N1

> <INCHI_IDENTIFIER>
InChI=1S/C6H6N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4H,1-2H2

> <INCHI_KEY>
KVDQMARGGBLIJM-UHFFFAOYSA-N

> <FORMULA>
C6H6N4

> <MOLECULAR_WEIGHT>
134.1386

> <EXACT_MASS>
134.059246212

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
12.749797534251194

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6,7-dihydropteridine

> <ALOGPS_LOGP>
-0.08

> <JCHEM_LOGP>
-0.36989182366666673

> <ALOGPS_LOGS>
-2.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
2.4573681812429804

> <JCHEM_POLAR_SURFACE_AREA>
49.44

> <JCHEM_REFRACTIVITY>
36.8964

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.40e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dihydropteridine

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB01441

> <GENERIC_NAME>
6,7-Dihydropteridine

$$$$