PDB CCD ID: | D4Y |
Number of entries in BioLiP: | 1 |
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-/m0/s1 |
InChIKey: | XYDTZHMQTYEJQN-ZETCQYMHSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.6 | c1cc2c(cc1F)C(C(=O)N2)O | OpenEye OEToolkits 2.0.6 | c1cc2c(cc1F)[C@@H](C(=O)N2)O | ACDLabs 12.01 | c12C(C(=O)Nc1ccc(c2)F)O | CACTVS 3.385 | O[C@@H]1C(=O)Nc2ccc(F)cc12 | CACTVS 3.385 | O[CH]1C(=O)Nc2ccc(F)cc12 |
|
Name: | (3S)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one |
ZINC: | ZINC000000111128 |