19070626
  -OEChem-05201320492D

 24 26  0     1  0  0  0  0  0999 V2000
    5.0694   -1.5154    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4940   -2.2992    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6443   -2.0568    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8880    0.9853    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1029    0.1103    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8767    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -1.8948    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6334   -1.2742    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5694   -0.6493    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0694    0.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3014    0.3507    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5603    1.3166    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8236    2.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023   -1.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0976    0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1334   -0.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3922    0.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8779    0.8064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7719    0.7545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9404    1.8063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1414    2.8316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2105    2.3912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9483    0.8320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
19070626

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
453

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwAAAHgAAAAAAAAAAAAAAAAYMEAAAgAAAAAAAYAAAAAAAAGAIAAAAADQKAAIAAAAAAAACAACBCAAAAAAAgAAAACEAAAggAAAIBAQAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAARAASIACAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H6Cl8/c11-5-2-3-1-4(5)7(12)6(3)8(13,14)10(17,18)9(7,15)16/h2-4,6H,1H2

> <PUBCHEM_IUPAC_INCHIKEY>
NLZZOLREBNUFQK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
409.791871

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6Cl8

> <PUBCHEM_MOLECULAR_WEIGHT>
409.77864

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C=C(C1C3(C2C(C(C3(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2C=C(C1C3(C2C(C(C3(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
405.797772

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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>
9  1  3
10  15  3
11  17  3
12  13  3

$$$$