Mrv0541 05061307462D          

  9  9  0  0  0  0            999 V2000
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2857   -0.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1296   -1.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM028420

> <DATABASE_NAME>
chemdb

> <SMILES>
OC(=O)C1=CC(O)=CN1

> <INCHI_IDENTIFIER>
InChI=1S/C5H5NO3/c7-3-1-4(5(8)9)6-2-3/h1-2,6-7H,(H,8,9)

> <INCHI_KEY>
FCGOBISRCUOUQH-UHFFFAOYSA-N

> <FORMULA>
C5H5NO3

> <MOLECULAR_WEIGHT>
127.0981

> <EXACT_MASS>
127.026943031

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
11.244281273531564

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-hydroxy-1H-pyrrole-2-carboxylic acid

> <ALOGPS_LOGP>
0.27

> <JCHEM_LOGP>
0.32714863866666666

> <ALOGPS_LOGS>
-0.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.623920993404246

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.579833341276751

> <JCHEM_PKA_STRONGEST_BASIC>
-6.191918037000698

> <JCHEM_POLAR_SURFACE_AREA>
73.32

> <JCHEM_REFRACTIVITY>
29.9314

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.01e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-hydroxy-1H-pyrrole-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Hydroxyminaline

$$$$