3-[(2-cyanoethyl)amino]naphthalene-2-carboxylic acid
Chemical Structure Depiction of
3-[(2-cyanoethyl)amino]naphthalene-2-carboxylic acid
3-[(2-cyanoethyl)amino]naphthalene-2-carboxylic acid
Compound characteristics
| Compound ID: | 1111-1004 |
| Compound Name: | 3-[(2-cyanoethyl)amino]naphthalene-2-carboxylic acid |
| Molecular Weight: | 240.26 |
| Molecular Formula: | C14 H12 N2 O2 |
| Smiles: | C(CNc1cc2ccccc2cc1C(O)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.4822 |
| logD: | 0.8978 |
| logSw: | -3.1796 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.517 |
| InChI Key: | KDJZSPWAASAKAZ-UHFFFAOYSA-N |