3-nitrophenyl 2-[(prop-2-en-1-yl)sulfanyl]pyridine-3-carboxylate
Chemical Structure Depiction of
3-nitrophenyl 2-[(prop-2-en-1-yl)sulfanyl]pyridine-3-carboxylate
3-nitrophenyl 2-[(prop-2-en-1-yl)sulfanyl]pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K780-0013 |
| Compound Name: | 3-nitrophenyl 2-[(prop-2-en-1-yl)sulfanyl]pyridine-3-carboxylate |
| Molecular Weight: | 316.33 |
| Molecular Formula: | C15 H12 N2 O4 S |
| Smiles: | C=CCSc1c(cccn1)C(=O)Oc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.67 |
| logD: | 3.67 |
| logSw: | -4.1039 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.177 |
| InChI Key: | LBDOANLNEHKRMV-UHFFFAOYSA-N |