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PDBeChem : Molecule Descriptors
Molecule : FD8
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C20H9F8NO2/c21-13-14(22)16(24)18(17(25)15(13)23)31-10-5-3-4-9(8-10)29-19(30)11-6-1-2-7-12(11)20(26,27)28/h1-8H,(H,29,30) |
2 |
InChIKey
|
InChI |
1.03 |
ZTJJBXFGRJEBCQ-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.352 |
Fc1c(F)c(F)c(Oc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c(F)c1F |
4 |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F |
5 |
Canonical SMILES
|
CACTVS |
3.352 |
Fc1c(F)c(F)c(Oc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)c(F)c1F |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3F)F)F)F)F)C(F)(F)F |
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