4-benzamido-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
Formula:C21H15N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-benzamido-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-benzamido-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C21H15N3O2Cl2 |
| Smiles | O=C(c1ccccc1)Nc(cc1)ccc1C(N/N=C\c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C21H15Cl2N3O2/c22-17-9-6-16(19(23)12-17)13-24-26-21(28)15-7-10-18(11-8-15)25-20(27)14-4-2-1-3-5-14/h1-13H,(H,25,27)(H,26,28) |
| InChIK | PCQDFHDVBPGIKJ-UHFFFAOYSA-N |
| TotalMolweight | 412.275 |
| Molweight | 412.275 |
| MonoisotopicMass | 411.054131 |
| CLogP | 5.5611 |
| CLogS | -6.705 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 306.8 |
| Relative PSA | 0.19723 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.9085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 4-benzamido-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide | 2 - 4-benzamido-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
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