PDB CCD ID: | LRW |
Number of entries in BioLiP: | 1 |
Chemical formula: | C10 H7 F3 O2 |
InChI: | InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+ |
InChIKey: | KSBWHDDGWSYETA-SNAWJCMRSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | OC(=O)/C=C/c1cccc(c1)C(F)(F)F | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)C(F)(F)F)/C=C/C(=O)O | CACTVS 3.385 | OC(=O)C=Cc1cccc(c1)C(F)(F)F | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)C(F)(F)F)C=CC(=O)O |
|
Name: | (~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid |
ChEMBL: | CHEMBL2387748 |
ZINC: | ZINC000000119696 |