PDB CCD ID: | CXJ |
Number of entries in BioLiP: | 1 |
Chemical formula: | C8 H6 F2 O3 |
InChI: | InChI=1S/C8H6F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m0/s1 |
InChIKey: | PHMLPPFFMSRWBK-ZETCQYMHSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | O[C@H](C(O)=O)c1cc(F)cc(F)c1 | OpenEye OEToolkits 2.0.6 | c1c(cc(cc1F)F)C(C(=O)O)O | CACTVS 3.385 | O[CH](C(O)=O)c1cc(F)cc(F)c1 | OpenEye OEToolkits 2.0.6 | c1c(cc(cc1F)F)[C@@H](C(=O)O)O | ACDLabs 12.01 | c1c(cc(F)cc1C(C(O)=O)O)F |
|
Name: | (2S)-(3,5-difluorophenyl)(hydroxy)acetic acid |
ZINC: | ZINC000000406430 |