PDB CCD ID: | 6LE |
Number of entries in BioLiP: | 1 |
Chemical formula: | C8 H10 Cl N O |
InChI: | InChI=1S/C8H10ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,11H,5,10H2/t8-/m1/s1 |
InChIKey: | QPHAZZJNYDEVHL-MRVPVSSYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | NC[CH](O)c1ccc(Cl)cc1 | CACTVS 3.385 | NC[C@@H](O)c1ccc(Cl)cc1 | ACDLabs 12.01 | c1c(ccc(c1)C(CN)O)Cl | OpenEye OEToolkits 2.0.4 | c1cc(ccc1C(CN)O)Cl | OpenEye OEToolkits 2.0.4 | c1cc(ccc1[C@@H](CN)O)Cl |
|
Name: | (1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol |
ChEMBL: | CHEMBL4586219 |
ZINC: | ZINC000002513178 |