15817734
  -OEChem-05052415382D

  6  6  0     0  0  0  0  0  0999 V2000
    3.0000    0.7430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.1230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923    1.3536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    0.5310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15817734

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
14.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQACIAAAAAAAAAAAAAAAFgAAAAAAAAAAAAAAAAAAAAAAAAAAFgAUAAAAAAAAAAYAAABQAAAAAAAAAAAAAAAAAAAAAIAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
oxaziridine

> <PUBCHEM_IUPAC_CAS_NAME>
oxaziridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
oxaziridine

> <PUBCHEM_IUPAC_NAME>
oxaziridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2-oxaziridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
oxaziridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH3NO/c1-2-3-1/h2H,1H2

> <PUBCHEM_IUPAC_INCHIKEY>
SJGALSBBFTYSBA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
45.021463719

> <PUBCHEM_MOLECULAR_FORMULA>
CH3NO

> <PUBCHEM_MOLECULAR_WEIGHT>
45.041

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1NO1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1NO1

> <PUBCHEM_CACTVS_TPSA>
34.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
45.021463719

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$