Mrv1652305271900122D          

 11 11  0  0  0  0            999 V2000
   13.5984   -5.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7109   -4.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9484   -5.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3609   -6.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3609   -4.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1859   -6.4031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1859   -4.9741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1234   -5.6885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8859   -4.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9484   -7.1175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9484   -4.2596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB023426

> <DATABASE_NAME>
foodb

> <SMILES>
NC1=NC=NC(N)=C1NC=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9)

> <INCHI_KEY>
MVYUVUOSXNYQLL-UHFFFAOYSA-N

> <FORMULA>
C5H7N5O

> <MOLECULAR_WEIGHT>
153.142

> <EXACT_MASS>
153.065059871

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
13.85331815393523

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(4,6-diaminopyrimidin-5-yl)formamide

> <ALOGPS_LOGP>
-1.36

> <JCHEM_LOGP>
-1.2301897326666666

> <ALOGPS_LOGS>
-1.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.929848073399503

> <JCHEM_PKA_STRONGEST_BASIC>
6.913103431709443

> <JCHEM_POLAR_SURFACE_AREA>
106.92

> <JCHEM_REFRACTIVITY>
43.122600000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.67e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(4,6-diaminopyrimidin-5-yl)formamide

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB023426

> <GENERIC_NAME>
FAPy-adenine

$$$$