67126
  -OEChem-05191010092D

 10 10  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723    1.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -0.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.8639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    0.6749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6245    1.1765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67126

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
155

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBDMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAADgAQAAAAAAABgAABAALAAAAIAAEQEAAAAAAAAAAAAACAAACAQAAAACAQAAAIBSIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
imidazolidine-2,4,5-trione

> <PUBCHEM_IUPAC_CAS_NAME>
imidazolidine-2,4,5-trione

> <PUBCHEM_IUPAC_NAME>
imidazolidine-2,4,5-trione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
imidazolidine-2,4,5-trione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
parabanic acid

> <PUBCHEM_NIST_INCHI>
InChI=1S/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)

> <PUBCHEM_NIST_INCHIKEY>
ZFLIKDUSUDBGCD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.9

> <PUBCHEM_EXACT_MASS>
114.006542

> <PUBCHEM_MOLECULAR_FORMULA>
C3H2N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
114.05958

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(=O)C(=O)NC(=O)N1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1(=O)C(=O)NC(=O)N1

> <PUBCHEM_CACTVS_TPSA>
75.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
114.006542

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
5

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$