KNE
Summary
| Name: | [(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine |
| Formula: | C15 H14 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 259.731 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H14ClNO/c16-13-6-7-14-11(8-13)9-15(10-17,18-14)12-4-2-1-3-5-12/h1-8H,9-10,17H2/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | USNHZUDDFFMUDB-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@]1(Cc2cc(Cl)ccc2O1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | NC[C]1(Cc2cc(Cl)ccc2O1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@@]2(Cc3cc(ccc3O2)Cl)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2(Cc3cc(ccc3O2)Cl)CN |
