MLW
Summary
| Name: | 4-chloranyl-5~{H}-cyclohepta[b]indol-10-one |
| Formula: | C13 H8 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 229.662 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-5~{H}-cyclohepta[b]indol-10-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H8ClNO/c14-9-5-3-4-8-12-10(15-13(8)9)6-1-2-7-11(12)16/h1-7,15H |
| InChIKey | InChI | 1.03 | BBOUTVQTMMUARP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc2c1[nH]c3C=CC=CC(=O)c23 |
| SMILES | CACTVS | 3.385 | Clc1cccc2c1[nH]c3C=CC=CC(=O)c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c3c([nH]c2c(c1)Cl)C=CC=CC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c3c([nH]c2c(c1)Cl)C=CC=CC3=O |
