(E)-3-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
Formula:C16H12NOCl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide |
| MolecularFormula | C16H12NOCl2F |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)NCc(cc1)ccc1F |
| InChI | InChI=1S/C16H12Cl2FNO/c17-14-7-3-11(9-15(14)18)4-8-16(21)20-10-12-1-5-13(19)6-2-12/h1-9H,10H2,(H,20,21) |
| InChIK | JZPJGWPZFMXUHC-UHFFFAOYSA-N |
| TotalMolweight | 324.181 |
| Molweight | 324.181 |
| MonoisotopicMass | 323.027996 |
| CLogP | 4.1585 |
| CLogS | -5.1 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 239.68 |
| Relative PSA | 0.10222 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.1768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide | 2 - (E)-3-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off