3,4-dichloro-N-[(Z)-3-phenylpropylideneamino]benzamide
Formula:C16H14N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[(Z)-3-phenylpropylideneamino]benzamide is a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-3-phenylpropylideneamino]benzamide |
| MolecularFormula | C16H14N2OCl2 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)N/N=C\CCc1ccccc1 |
| InChI | InChI=1S/C16H14Cl2N2O/c17-14-9-8-13(11-15(14)18)16(21)20-19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-11H,4,7H2,(H,20,21) |
| InChIK | NLSCKNKIANTMIF-UHFFFAOYSA-N |
| TotalMolweight | 321.206 |
| Molweight | 321.206 |
| MonoisotopicMass | 320.048317 |
| CLogP | 4.5552 |
| CLogS | -5.35 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 245.35 |
| Relative PSA | 0.14677 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.2839 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3,4-dichloro-N-[(Z)-3-phenylpropylideneamino]benzamide | 2 - 3,4-dichloro-N-[(Z)-3-phenylpropylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off