3,4-dichloro-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
Formula:C14H9N2OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H9N2OCl3 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)N/N=C\c1cc(Cl)ccc1 |
| InChI | InChI=1S/C14H9Cl3N2O/c15-11-3-1-2-9(6-11)8-18-19-14(20)10-4-5-12(16)13(17)7-10/h1-8H,(H,19,20) |
| InChIK | SQPBANBBULTPRA-UHFFFAOYSA-N |
| TotalMolweight | 327.597 |
| Molweight | 327.597 |
| MonoisotopicMass | 325.978044 |
| CLogP | 5.0196 |
| CLogS | -5.929 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 233.25 |
| Relative PSA | 0.15438 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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