M3Q
Summary
| Name: | [(quinolin-8-yl)methyl]phosphonic acid |
| Formula: | C10 H10 N O3 P |
| Formal charge: | 0 |
| Formula weight: | 223.165 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(quinolin-8-yl)methyl]phosphonic acid |
| OpenEye OEToolkits | 2.0.6 | quinolin-8-ylmethylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1cccc2cccnc12)P(O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H10NO3P/c12-15(13,14)7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6H,7H2,(H2,12,13,14) |
| InChIKey | InChI | 1.03 | JEAIVEQRSHHAIR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)Cc1cccc2cccnc12 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)Cc1cccc2cccnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2cccnc2c(c1)CP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2cccnc2c(c1)CP(=O)(O)O |
