25423
 OpenBabel05082101102D

  4  3  0  0  0  0  0  0  0  0999 V2000
    2.0000   -0.5600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
25423

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
2

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQACAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
chloroamine

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/ClH2N/c1-2/h2H2

>  <PUBCHEM_IUPAC_INCHIKEY>
QDHHCQZDFGDHMP-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
0.1

>  <PUBCHEM_EXACT_MASS>
50.987577

>  <PUBCHEM_MOLECULAR_FORMULA>
ClH2N

>  <PUBCHEM_MOLECULAR_WEIGHT>
51.47

>  <PUBCHEM_OPENEYE_CAN_SMILES>
NCl

>  <PUBCHEM_OPENEYE_ISO_SMILES>
NCl

>  <PUBCHEM_CACTVS_TPSA>
26

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
50.987577

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
2

>  <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

$$$$
