Mrv1652306031608292D          

 15 16  0  0  0  0            999 V2000
    5.4348    1.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6063    2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932    2.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0370    1.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5955    3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086    2.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    2.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.1965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760    2.9812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670    4.0431    0.0000 H   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
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 11  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044699

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]\C(=C1\N=C(O)N=C1O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H8N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6-

> <INCHI_KEY>
UDTSPKADQGPZFS-VURMDHGXSA-N

> <FORMULA>
C10H8N2O2

> <MOLECULAR_WEIGHT>
188.186

> <EXACT_MASS>
188.058577506

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
19.021591635020812

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4Z)-4-(phenylmethylidene)-4H-imidazole-2,5-diol

> <ALOGPS_LOGP>
1.10

> <JCHEM_LOGP>
1.930907688333333

> <ALOGPS_LOGS>
-2.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
6.535995723375658

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6183754243636583

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8982170439094607

> <JCHEM_POLAR_SURFACE_AREA>
65.18

> <JCHEM_REFRACTIVITY>
52.770900000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.61e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5Z)-5-(phenylmethylidene)imidazole-2,4-diol

> <JCHEM_VEBER_RULE>
0

> <NAME>
(5Z)-5-benzylideneimidazolidine-2,4-dione

> <CAS>
74805-60-0

$$$$