(E)-3-(4-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
Formula:C15H16NOCl
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide |
| MolecularFormula | C15H16NOCl |
| Smiles | C=CCN(CC=C)C(/C=C/c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C15H16ClNO/c1-3-11-17(12-4-2)15(18)10-7-13-5-8-14(16)9-6-13/h3-10H,1-2,11-12H2 |
| InChIK | GDOUIYNWSHFJPP-UHFFFAOYSA-N |
| TotalMolweight | 261.751 |
| Molweight | 261.751 |
| MonoisotopicMass | 261.092041 |
| CLogP | 3.6505 |
| CLogS | -3.383 |
| H Acceptors | 2 |
| TotalSurfaceArea | 219.83 |
| Relative PSA | 0.075467 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -0.52903 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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