Mrv1652309042000402D          

 14 14  0  0  0  0            999 V2000
    0.4520    2.3766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3182    2.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    1.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5219    1.0435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9712    1.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0532    2.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7452    2.0061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7020    1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9669    0.8077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3939    0.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7951    1.7786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    2.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4601    3.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9669    3.3541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  9  3  1  0  0  0  0
  3  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB005231

> <DATABASE_NAME>
CDB

> <SMILES>
NC(=O)NC1=NC(=O)NC1(O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H6N4O5/c6-3(12)7-1-5(14,2(10)11)9-4(13)8-1/h14H,(H,10,11)(H4,6,7,8,9,12,13)

> <INCHI_KEY>
WHKYNCPIXMNTRQ-UHFFFAOYSA-N

> <FORMULA>
C5H6N4O5

> <MOLECULAR_WEIGHT>
202.1249

> <EXACT_MASS>
202.033819322

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
16.004617959627303

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(carbamoylamino)-5-hydroxy-2-oxo-2,5-dihydro-1H-imidazole-5-carboxylic acid

> <ALOGPS_LOGP>
-1.86

> <JCHEM_LOGP>
-2.2777762976666662

> <ALOGPS_LOGS>
-1.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.332369787461557

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5311433200394338

> <JCHEM_PKA_STRONGEST_BASIC>
-1.1180337776917915

> <JCHEM_POLAR_SURFACE_AREA>
154.10999999999999

> <JCHEM_REFRACTIVITY>
38.66830000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.85e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-(carbamoylamino)-4-hydroxy-2-oxo-3H-imidazole-4-carboxylic acid

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB005231

> <GENERIC_NAME>
5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate

$$$$