A1BDU
Summary
| Name: | (1H-indol-5-yl)methanol |
| Formula: | C9 H9 N O |
| Formal charge: | 0 |
| Formula weight: | 147.174 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1H-indol-5-yl)methanol |
| OpenEye OEToolkits | 3.1.0.0 | 1~{H}-indol-5-ylmethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OCc1cc2cc[NH]c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H9NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-5,10-11H,6H2 |
| InChIKey | InChI | 1.06 | ZSHFWQNPJMUBQU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccc2[nH]ccc2c1 |
| SMILES | CACTVS | 3.385 | OCc1ccc2[nH]ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc[nH]2)cc1CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc[nH]2)cc1CO |
