{[(4-nitrophenyl)methyl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[(4-nitrophenyl)methyl]sulfanyl}acetic acid
{[(4-nitrophenyl)methyl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 2332-0979 |
| Compound Name: | {[(4-nitrophenyl)methyl]sulfanyl}acetic acid |
| Molecular Weight: | 227.24 |
| Molecular Formula: | C9 H9 N O4 S |
| Smiles: | C(C(O)=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6118 |
| logD: | -1.7152 |
| logSw: | -2.0159 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.004 |
| InChI Key: | VBACFDMVHJLUGP-UHFFFAOYSA-N |