N-(2-chlorobenzoyl)-beta-alanine
Chemical Structure Depiction of
N-(2-chlorobenzoyl)-beta-alanine
N-(2-chlorobenzoyl)-beta-alanine
Compound characteristics
| Compound ID: | Y031-6653 |
| Compound Name: | N-(2-chlorobenzoyl)-beta-alanine |
| Molecular Weight: | 227.64 |
| Molecular Formula: | C10 H10 Cl N O3 |
| Smiles: | C(CNC(c1ccccc1[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9007 |
| logD: | -1.795 |
| logSw: | -2.5699 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.149 |
| InChI Key: | YXMWSRFNCJGXLD-UHFFFAOYSA-N |