ContaminantDB: Showing structure for CHEM004419: Dichlorosilane

61330
  -OEChem-10091907393D

5  4  0     0  0  0  0  0  0999 V2000
   -1.6317   -0.4101    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6316   -0.4102    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    0.8203    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    1.6366    1.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6365   -1.2405 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
  3  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61330

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 -0.37
2 -0.37
3 1.14
4 -0.2
5 -0.2

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
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_CONFORMER_ID>
0000EF9200000001

> <PUBCHEM_MMFF94_ENERGY>
0.3869

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 17690280829751227237
16714656 1 9078815420667172984
20096714 4 9079118855816877796
21015797 1 18340209682007147829
5460574 1 18410856546770711940
5943 1 9147244355713953880

> <PUBCHEM_SHAPE_MULTIPOLES>
83.69
2.21
1.16
0.79
0
0.3
0
-0.73
0
0
0
0
0.09
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
110.278

> <PUBCHEM_SHAPE_VOLUME>
68.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$

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MOL SDF 3D-SDF PDB SMILES InChI

Showing structure for CHEM004419: Dichlorosilane

Structure for CHEM004419: Dichlorosilane