(E)-3-(2,6-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
Formula:C18H17NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,6-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2,6-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide |
| MolecularFormula | C18H17NOCl2 |
| Smiles | O=C(/C=C/c(c(Cl)ccc1)c1Cl)NCCCc1ccccc1 |
| InChI | InChI=1S/C18H17Cl2NO/c19-16-9-4-10-17(20)15(16)11-12-18(22)21-13-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-12H,5,8,13H2,(H,21,22) |
| InChIK | YPYMBJCGFWTGTJ-UHFFFAOYSA-N |
| TotalMolweight | 334.245 |
| Molweight | 334.245 |
| MonoisotopicMass | 333.068718 |
| CLogP | 4.9422 |
| CLogS | -5.168 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 260.85 |
| Relative PSA | 0.093924 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.9381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(2,6-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide | 2 - (E)-3-(2,6-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off