N-(2-chloro-5-methoxyphenyl)-beta-alanine
Chemical Structure Depiction of
N-(2-chloro-5-methoxyphenyl)-beta-alanine
N-(2-chloro-5-methoxyphenyl)-beta-alanine
Compound characteristics
| Compound ID: | 0203-0017 |
| Compound Name: | N-(2-chloro-5-methoxyphenyl)-beta-alanine |
| Molecular Weight: | 229.66 |
| Molecular Formula: | C10 H12 Cl N O3 |
| Smiles: | COc1ccc(c(c1)NCCC(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.4992 |
| logD: | -1.1708 |
| logSw: | -2.2944 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.816 |
| InChI Key: | LNAFVOMCSWVASR-UHFFFAOYSA-N |