Mrv0541 02231218592D          

 10 11  0  0  0  0            999 V2000
    4.9673  -12.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9742  -11.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6812  -13.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2603  -13.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6908  -11.5055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2603  -11.4986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3979  -12.7457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5464  -12.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4048  -11.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5464  -11.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB000302

> <DATABASE_NAME>
M2MDB

> <SMILES>
C1CNC2=C(N1)C=NC=N2

> <INCHI_IDENTIFIER>
InChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4,8H,1-2H2,(H,7,9,10)

> <INCHI_KEY>
IDAICLIJTRXNER-UHFFFAOYSA-N

> <FORMULA>
C6H8N4

> <MOLECULAR_WEIGHT>
136.1545

> <EXACT_MASS>
136.074896276

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
13.525091304224391

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,6,7,8-tetrahydropteridine

> <ALOGPS_LOGP>
0.29

> <JCHEM_LOGP>
-0.5817757026666666

> <ALOGPS_LOGS>
-1.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.350342459637382

> <JCHEM_PKA_STRONGEST_BASIC>
5.4225876325351114

> <JCHEM_POLAR_SURFACE_AREA>
49.84

> <JCHEM_REFRACTIVITY>
41.4544

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.43e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,6,7,8-tetrahydropteridine

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB01216

> <GENERIC_NAME>
Tetrahydropteridine

$$$$