3-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]benzamide
Formula:C21H14N3O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H14N3O2Cl3 |
| Smiles | O=C(c(cc1)ccc1Cl)Nc1cccc(C(N/N=C\c(c(Cl)ccc2)c2Cl)=O)c1 |
| InChI | InChI=1S/C21H14Cl3N3O2/c22-15-9-7-13(8-10-15)20(28)26-16-4-1-3-14(11-16)21(29)27-25-12-17-18(23)5-2-6-19(17)24/h1-12H,(H,26,28)(H,27,29) |
| InChIK | PZNUKVNJVJFHLX-UHFFFAOYSA-N |
| TotalMolweight | 446.72 |
| Molweight | 446.72 |
| MonoisotopicMass | 445.015158 |
| CLogP | 6.1671 |
| CLogS | -7.441 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 322.22 |
| Relative PSA | 0.18779 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.9085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]benzamide | 2 - 3-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]benzamide
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