(E)-N-(2,3-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
Formula:C17H15NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2,3-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2,3-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide |
| MolecularFormula | C17H15NO3Cl2 |
| Smiles | COc(ccc(/C=C/C(Nc1cccc(Cl)c1Cl)=O)c1)c1OC |
| InChI | InChI=1S/C17H15Cl2NO3/c1-22-14-8-6-11(10-15(14)23-2)7-9-16(21)20-13-5-3-4-12(18)17(13)19/h3-10H,1-2H3,(H,20,21) |
| InChIK | JPEMFUDKBOTDPH-UHFFFAOYSA-N |
| TotalMolweight | 352.216 |
| Molweight | 352.216 |
| MonoisotopicMass | 351.042898 |
| CLogP | 4.2083 |
| CLogS | -5.006 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 264.09 |
| Relative PSA | 0.1685 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -0.2851 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(2,3-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide | 2 - (E)-N-(2,3-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off