(E)-N,N-dicyclohexyl-3-(3,4-dichlorophenyl)prop-2-enamide
Formula:C21H27NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N,N-dicyclohexyl-3-(3,4-dichlorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N,N-dicyclohexyl-3-(3,4-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C21H27NOCl2 |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)N(C1CCCCC1)C1CCCCC1 |
| InChI | InChI=1S/C21H27Cl2NO/c22-19-13-11-16(15-20(19)23)12-14-21(25)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-15,17-18H,1-10H2 |
| InChIK | JCXGMHNHXNCERZ-UHFFFAOYSA-N |
| TotalMolweight | 380.357 |
| Molweight | 380.357 |
| MonoisotopicMass | 379.146968 |
| CLogP | 6.0175 |
| CLogS | -6.249 |
| H Acceptors | 2 |
| TotalSurfaceArea | 294.25 |
| Relative PSA | 0.056381 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | -8.8493 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N,N-dicyclohexyl-3-(3,4-dichlorophenyl)prop-2-enamide | 2 - (E)-N,N-dicyclohexyl-3-(3,4-dichlorophenyl)prop-2-enamide
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