N-[(Z)-1-(2-chlorophenyl)-3-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
Formula:C23H17N3O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-1-(2-chlorophenyl)-3-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-1-(2-chlorophenyl)-3-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C23H17N3O2Cl2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c(cccc1)c1Cl)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H17Cl2N3O2/c24-19-12-10-16(11-13-19)15-26-28-23(30)21(14-18-8-4-5-9-20(18)25)27-22(29)17-6-2-1-3-7-17/h1-15H,(H,27,29)(H,28,30) |
| InChIK | LCYJZOHDVNHRPV-UHFFFAOYSA-N |
| TotalMolweight | 438.313 |
| Molweight | 438.313 |
| MonoisotopicMass | 437.069781 |
| CLogP | 6.0303 |
| CLogS | -6.938 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 331.51 |
| Relative PSA | 0.18253 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 6.4183 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-1-(2-chlorophenyl)-3-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(2-chlorophenyl)-3-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
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