4-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzamide
Formula:C21H15N4O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H15N4O2Cl3 |
| Smiles | O=C(c(cc1)ccc1NC(Nc1cc(Cl)ccc1)=O)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C21H15Cl3N4O2/c22-15-2-1-3-17(11-15)27-21(30)26-16-7-5-14(6-8-16)20(29)28-25-12-13-4-9-18(23)19(24)10-13/h1-12H,(H,28,29)(H2,26,27,30) |
| InChIK | CHJOQTJJSSGVGY-UHFFFAOYSA-N |
| TotalMolweight | 461.735 |
| Molweight | 461.735 |
| MonoisotopicMass | 460.026057 |
| CLogP | 6.161 |
| CLogS | -7.957 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 333.68 |
| Relative PSA | 0.21569 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 4.8155 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - 4-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzamide | 2 - 4-[(3-chlorophenyl)carbamoylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzamide
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