76939
  -OEChem-05082415062D

  4  3  0     0  0  0  0  0  0999 V2000
    3.7320    0.5600    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.8660   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
76939

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQACAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dichloroamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Cl2HN/c1-3-2/h3H

> <PUBCHEM_IUPAC_INCHIKEY>
JSYGRUBHOCKMGQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
84.9486044

> <PUBCHEM_MOLECULAR_FORMULA>
Cl2HN

> <PUBCHEM_MOLECULAR_WEIGHT>
85.92

> <PUBCHEM_OPENEYE_CAN_SMILES>
N(Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
N(Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
12

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
84.9486044

> <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

$$$$