(E)-N-cyclohexyl-3-(3,4-dichlorophenyl)prop-2-enamide
Formula:C15H17NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-cyclohexyl-3-(3,4-dichlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-cyclohexyl-3-(3,4-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C15H17NOCl2 |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)NC1CCCCC1 |
| InChI | InChI=1S/C15H17Cl2NO/c16-13-8-6-11(10-14(13)17)7-9-15(19)18-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,18,19) |
| InChIK | YRDVUVCBOQTAEG-UHFFFAOYSA-N |
| TotalMolweight | 298.212 |
| Molweight | 298.212 |
| MonoisotopicMass | 297.068718 |
| CLogP | 4.1953 |
| CLogS | -5.037 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 227.61 |
| Relative PSA | 0.10764 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -4.0475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-cyclohexyl-3-(3,4-dichlorophenyl)prop-2-enamide | 2 - (E)-N-cyclohexyl-3-(3,4-dichlorophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off