6234
 Wcorina  10100417263D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 13 13  0     1  0  0  0  0  0999 V2000
   -0.0171    1.4104    0.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4880   -1.6525   -0.5408 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4180    0.5065   -0.1026 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0894    0.7060   -0.6967 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3478    1.8704   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908   -0.4835   -0.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1707    0.8860   -1.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4419    2.7896   -0.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7164    2.0117    1.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7480   -0.5604    0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9057   -0.2527   -0.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9609    1.3564   -0.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  5  4  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6234

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
92.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBDMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAUAAAACCjhgAYAAABQAAAIAAEQEAAAAAAAAAAgAIGAAAACQAQAAAAAAAACMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4R)-4-aminoisoxazolidin-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
(4R)-4-amino-3-isoxazolidinone

> <PUBCHEM_IUPAC_NAME>
(4R)-4-amino-1,2-oxazolidin-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4R)-4-azanyl-1,2-oxazolidin-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4R)-4-aminoisoxazolidin-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
DYDCUQKUCUHJBH-UWTATZPHSA-N

> <PUBCHEM_XLOGP3_AA>
-1.5

> <PUBCHEM_EXACT_MASS>
102.042927

> <PUBCHEM_MOLECULAR_FORMULA>
C3H6N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
102.09194

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(=O)NO1)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@H](C(=O)NO1)N

> <PUBCHEM_CACTVS_TPSA>
64.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
102.042927

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  4  5

$$$$