N-(4-nitrobenzene-1-sulfonyl)-beta-alanine
Chemical Structure Depiction of
N-(4-nitrobenzene-1-sulfonyl)-beta-alanine
N-(4-nitrobenzene-1-sulfonyl)-beta-alanine
Compound characteristics
| Compound ID: | 1682-2515 |
| Compound Name: | N-(4-nitrobenzene-1-sulfonyl)-beta-alanine |
| Molecular Weight: | 274.25 |
| Molecular Formula: | C9 H10 N2 O6 S |
| Smiles: | C(CNS(c1ccc(cc1)[N+]([O-])=O)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5131 |
| logD: | -2.3458 |
| logSw: | -2.3846 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.875 |
| InChI Key: | WBULOUVRHAKHDN-UHFFFAOYSA-N |