3-amino-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
Formula:C14H11N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-amino-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-amino-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H11N3OCl2 |
| Smiles | Nc1cccc(C(N/N=C\c(ccc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C14H11Cl2N3O/c15-11-5-4-10(13(16)7-11)8-18-19-14(20)9-2-1-3-12(17)6-9/h1-8H,17H2,(H,19,20) |
| InChIK | KCPFFRXQOLIOOV-UHFFFAOYSA-N |
| TotalMolweight | 308.167 |
| Molweight | 308.167 |
| MonoisotopicMass | 307.027916 |
| CLogP | 3.7363 |
| CLogS | -5.269 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 226.35 |
| Relative PSA | 0.22655 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 4.4006 |
| 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 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 3-amino-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide | 2 - 3-amino-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
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