Mrv0541 08091208242D          

 14 15  0  0  0  0            999 V2000
    4.6184   -0.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9540   -0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7980   -1.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691    0.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3130   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186    1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6486    0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637    1.0206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837    1.8053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    3.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8538    0.3532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991    2.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  7  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14 11  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB001936

> <DATABASE_NAME>
M2MDB

> <SMILES>
ON1C(=O)CN(C1=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C9H8N2O3/c12-8-6-10(9(13)11(8)14)7-4-2-1-3-5-7/h1-5,14H,6H2

> <INCHI_KEY>
IEUWJBJXAOXHGF-UHFFFAOYSA-N

> <FORMULA>
C9H8N2O3

> <MOLECULAR_WEIGHT>
192.1714

> <EXACT_MASS>
192.053492132

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
18.064465268159474

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-hydroxy-1-phenylimidazolidine-2,4-dione

> <ALOGPS_LOGP>
0.04

> <JCHEM_LOGP>
0.42823231933333333

> <ALOGPS_LOGS>
-1.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.250227146979704

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.123674354754937

> <JCHEM_PKA_STRONGEST_BASIC>
-6.243904812753844

> <JCHEM_POLAR_SURFACE_AREA>
60.85000000000001

> <JCHEM_REFRACTIVITY>
47.485

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.02e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-hydroxy-1-phenylimidazolidine-2,4-dione

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB21541

> <GENERIC_NAME>
Hydroxyphenylhydantoin

$$$$