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PDBeChem : Molecule Descriptors
Molecule : 1Y6
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) |
2 |
InChIKey
|
InChI |
1.03 |
BBYDXOIZLAWGSL-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
Fc1ccc(C(=O)O)cc1 |
4 |
SMILES
|
CACTVS |
3.385 |
OC(=O)c1ccc(F)cc1 |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1cc(ccc1C(=O)O)F |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
OC(=O)c1ccc(F)cc1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1cc(ccc1C(=O)O)F |
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