(E)-3-(2,6-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
Formula:C15H15NOCl2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
(E)-3-(2,6-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2,6-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide |
| MolecularFormula | C15H15NOCl2 |
| Smiles | C=CCN(CC=C)C(/C=C/c(c(Cl)ccc1)c1Cl)=O |
| InChI | InChI=1S/C15H15Cl2NO/c1-3-10-18(11-4-2)15(19)9-8-12-13(16)6-5-7-14(12)17/h3-9H,1-2,10-11H2 |
| InChIK | AGXDVRBAKOSXIU-UHFFFAOYSA-N |
| TotalMolweight | 296.196 |
| Molweight | 296.196 |
| MonoisotopicMass | 295.053068 |
| CLogP | 4.2565 |
| CLogS | -4.119 |
| H Acceptors | 2 |
| TotalSurfaceArea | 235.25 |
| Relative PSA | 0.070521 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -0.52903 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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