5-{[(2-chloroacetamido)methyl]amino}-2-cyano-3-methylhexa-2,4-dienoic acid
Chemical Structure Depiction of
5-{[(2-chloroacetamido)methyl]amino}-2-cyano-3-methylhexa-2,4-dienoic acid
5-{[(2-chloroacetamido)methyl]amino}-2-cyano-3-methylhexa-2,4-dienoic acid
Compound characteristics
| Compound ID: | 8019-8785 |
| Compound Name: | 5-{[(2-chloroacetamido)methyl]amino}-2-cyano-3-methylhexa-2,4-dienoic acid |
| Molecular Weight: | 271.7 |
| Molecular Formula: | C11 H14 Cl N3 O3 |
| Smiles: | C/C(=C\C(\C)=C(/C#N)C(O)=O)NCNC(C[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 0.1043 |
| logD: | -6.9684 |
| logSw: | -1.0765 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.04 |
| InChI Key: | MFUUFDQMIVLLAY-UHFFFAOYSA-N |