6328152
 OpenBabel05082101102D

  4  2  0  0  0  0  0  0  0  0999 V2000
    3.4030   -0.2500    0.0000 Bi  0  0  0  0  0  2  0  0  0  0  0  0
    2.5369    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
M  RAD  1   1   2
M  END
>  <PUBCHEM_COMPOUND_CID>
6328152

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
4.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAIAAEAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/Bi.ClH.O/h;1H;

>  <PUBCHEM_IUPAC_INCHIKEY>
BWOROQSFKKODDR-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
260.95199

>  <PUBCHEM_MOLECULAR_FORMULA>
BiClHO

>  <PUBCHEM_MOLECULAR_WEIGHT>
261.44

>  <PUBCHEM_OPENEYE_CAN_SMILES>
O=[Bi].Cl

>  <PUBCHEM_OPENEYE_ISO_SMILES>
O=[Bi].Cl

>  <PUBCHEM_CACTVS_TPSA>
17.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.95199

>  <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>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_NONSTANDARDBOND>
1  2  6

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
