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PDBeChem : Molecule Descriptors
Molecule : GF8
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C10H11Cl2NOS/c11-8-2-1-7(5-9(8)12)6-10(14)13-3-4-15/h1-2,5,15H,3-4,6H2,(H,13,14) |
2 |
InChIKey
|
InChI |
1.03 |
ZRTLNSGWIWNTPL-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
SCCNC(=O)Cc1ccc(Cl)c(Cl)c1 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc(c(cc1CC(=O)NCCS)Cl)Cl |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
SCCNC(=O)Cc1ccc(Cl)c(Cl)c1 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc(c(cc1CC(=O)NCCS)Cl)Cl |
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