2,4-dichloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Formula:C16H12N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C16H12N2OCl2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C16H12Cl2N2O/c17-13-8-9-14(15(18)11-13)16(21)20-19-10-4-7-12-5-2-1-3-6-12/h1-11H,(H,20,21) |
| InChIK | FKMJRDHBOPQAOT-UHFFFAOYSA-N |
| TotalMolweight | 319.19 |
| Molweight | 319.19 |
| MonoisotopicMass | 318.032667 |
| CLogP | 4.4319 |
| CLogS | -5.485 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 244.33 |
| Relative PSA | 0.14738 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.4665 |
| 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 | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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