N-(2-chloro-9H-purin-6-yl)-beta-alanine
Chemical Structure Depiction of
N-(2-chloro-9H-purin-6-yl)-beta-alanine
N-(2-chloro-9H-purin-6-yl)-beta-alanine
Compound characteristics
| Compound ID: | Y043-0951 |
| Compound Name: | N-(2-chloro-9H-purin-6-yl)-beta-alanine |
| Molecular Weight: | 241.63 |
| Molecular Formula: | C8 H8 Cl N5 O2 |
| Smiles: | C(CNc1c2c(nc(n1)[Cl])[nH]cn2)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0899 |
| logD: | -2.7728 |
| logSw: | -2.161 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.541 |
| InChI Key: | VBNPITSJNZARMF-UHFFFAOYSA-N |