Mrv0541 02241221452D          

  7  7  0  0  0  0            999 V2000
   -0.7336    0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6955    0.5055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7336   -0.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151    1.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6955   -0.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0190   -0.7336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101   -0.7336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB004274

> <DATABASE_NAME>
foodb

> <SMILES>
O=C1CNC(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)

> <INCHI_KEY>
WJRBRSLFGCUECM-UHFFFAOYSA-N

> <FORMULA>
C3H4N2O2

> <MOLECULAR_WEIGHT>
100.0761

> <EXACT_MASS>
100.027277382

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
8.21974966978361

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
imidazolidine-2,4-dione

> <ALOGPS_LOGP>
-1.47

> <JCHEM_LOGP>
-1.4502204676666666

> <ALOGPS_LOGS>
-0.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.860764571723223

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.678378016311395

> <JCHEM_PKA_STRONGEST_BASIC>
-8.670979225740245

> <JCHEM_POLAR_SURFACE_AREA>
58.2

> <JCHEM_REFRACTIVITY>
21.046100000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.68e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hydantoin

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB004274

> <GENERIC_NAME>
Hydantoin

$$$$