5-(3-chlorophenyl)-2-{[(3-hydroxypropyl)amino]methylidene}cyclohexane-1,3-dione
Chemical Structure Depiction of
5-(3-chlorophenyl)-2-{[(3-hydroxypropyl)amino]methylidene}cyclohexane-1,3-dione
5-(3-chlorophenyl)-2-{[(3-hydroxypropyl)amino]methylidene}cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 8012-7535 |
| Compound Name: | 5-(3-chlorophenyl)-2-{[(3-hydroxypropyl)amino]methylidene}cyclohexane-1,3-dione |
| Molecular Weight: | 307.77 |
| Molecular Formula: | C16 H18 Cl N O3 |
| Smiles: | C(CNC=C1C(CC(CC1=O)c1cccc(c1)[Cl])=O)CO |
| Stereo: | ACHIRAL |
| logP: | 1.4422 |
| logD: | 1.4411 |
| logSw: | -2.2601 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.284 |
| InChI Key: | WXIYGDJKIWWZCA-UHFFFAOYSA-N |