(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide
Formula:C23H19NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide |
| MolecularFormula | C23H19NO2Cl2 |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc1cccc(Cl)c1)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C23H19Cl2NO2/c24-20-9-4-18(5-10-20)15-26-23(27)13-8-17-6-11-22(12-7-17)28-16-19-2-1-3-21(25)14-19/h1-14H,15-16H2,(H,26,27) |
| InChIK | LCYPDTNNLQMRTK-UHFFFAOYSA-N |
| TotalMolweight | 412.315 |
| Molweight | 412.315 |
| MonoisotopicMass | 411.079283 |
| CLogP | 5.4058 |
| CLogS | -6.127 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 316.85 |
| Relative PSA | 0.10888 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -0.015023 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide | 2 - (E)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off