4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid
Chemical Structure Depiction of
4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid
4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid
Compound characteristics
| Compound ID: | 5369-0121 |
| Compound Name: | 4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]butanoic acid |
| Molecular Weight: | 293.7 |
| Molecular Formula: | C14 H12 Cl N O4 |
| Smiles: | C(CC(O)=O)CNC1=C(C(c2ccccc2C1=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.4265 |
| logD: | -1.3944 |
| logSw: | -2.5522 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.382 |
| InChI Key: | OPTDAYWBFJRIGB-UHFFFAOYSA-N |