| PDB CCD ID: | Q69 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H12 Cl N O2 |
| InChI: | InChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/m0/s1 |
| InChIKey: | IHPBIPNWENCKAM-JTQLQIEISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(=O)NC(CO)c1cccc(c1)Cl | | ACDLabs 12.01 | Clc1cc(ccc1)C(NC(C)=O)CO | | OpenEye OEToolkits 2.0.7 | CC(=O)N[C@@H](CO)c1cccc(c1)Cl | | CACTVS 3.385 | CC(=O)N[CH](CO)c1cccc(Cl)c1 | | CACTVS 3.385 | CC(=O)N[C@@H](CO)c1cccc(Cl)c1 |
|
| Name: | N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide |
umich.edu