12423543
  -OEChem-05241318242D

 24 26  0     1  0  0  0  0  0999 V2000
    5.0481   -1.5047    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8246    1.3931    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3291    2.2758    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6389   -2.1636    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2637    0.1683    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5749   -1.5388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0749   -0.6727    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3069   -0.5388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5657    0.4272    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8291    1.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9078   -2.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030   -0.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1389   -1.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3977   -0.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9999   -2.2749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6499    0.0634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3466    1.7513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970   -2.8123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4086   -2.6412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0370   -0.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4830   -0.8828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935   -1.7420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8082   -2.4603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  9  2  1  6  0  0  0
  3 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  1  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  1  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12423543

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
333

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwAAAHAAAAAAAAAAAAAAAAAYMEAAAgAAAAAAAYAAAAAAAAGAIAAAAADQOAAEAAAAAAAACAAABAAAAAAAAgAAAACEAAAggAAAIBAAAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAARAASIACAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9Cl5/c11-6-7(12)10(15)5-3-1-2-4(5)9(6,14)8(10)13/h4-5,8H,1-3H2/t4-,5+,8?,9-,10+

> <PUBCHEM_IUPAC_INCHIKEY>
ZDCUMNFKBZRQCZ-CUAQMAQDSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
305.911739

> <PUBCHEM_MOLECULAR_FORMULA>
C10H9Cl5

> <PUBCHEM_MOLECULAR_WEIGHT>
306.44346

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2C(C1)C3(C(C2(C(=C3Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C[C@@H]2[C@H](C1)[C@]3(C([C@@]2(C(=C3Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.914689

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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

> <PUBCHEM_BONDANNOTATIONS>
8  1  5
9  2  6
6  16  5
7  17  5

$$$$