PDB CCD ID: | 0TI |
Number of entries in BioLiP: | 4 |
Chemical formula: | C8 H6 F N O2 |
InChI: | InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)/t7-/m1/s1 |
InChIKey: | XYDTZHMQTYEJQN-SSDOTTSWSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.6 | c1cc2c(cc1F)C(C(=O)N2)O | CACTVS 3.385 | O[C@H]1C(=O)Nc2ccc(F)cc12 | OpenEye OEToolkits 1.7.6 | c1cc2c(cc1F)[C@H](C(=O)N2)O | CACTVS 3.385 | O[CH]1C(=O)Nc2ccc(F)cc12 | ACDLabs 12.01 | c2cc1NC(=O)C(O)c1cc2F |
|
Name: | (3R)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one |
ZINC: | ZINC000100380560 |