(E)-3-(2,4-dichlorophenyl)-N-(3,3-diphenylpropyl)prop-2-enamide
Formula:C24H21NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-(3,3-diphenylpropyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-(3,3-diphenylpropyl)prop-2-enamide |
| MolecularFormula | C24H21NOCl2 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)NCCC(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C24H21Cl2NO/c25-21-13-11-20(23(26)17-21)12-14-24(28)27-16-15-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,17,22H,15-16H2,(H,27,28) |
| InChIK | QQYUCOCANZEGHJ-UHFFFAOYSA-N |
| TotalMolweight | 410.343 |
| Molweight | 410.343 |
| MonoisotopicMass | 409.100018 |
| CLogP | 6.4698 |
| CLogS | -6.317 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 319.35 |
| Relative PSA | 0.076718 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.75805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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