7V3
Summary
| Name: | (S)-(4-chlorophenyl)-phenyl-methanamine |
| Formula: | C13 H12 Cl N |
| Formal charge: | 0 |
| Formula weight: | 217.694 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{S})-(4-chlorophenyl)-phenyl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | XAFODXGEQUOEKN-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](c1ccccc1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | N[CH](c1ccccc1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(c2ccc(cc2)Cl)N |
