4-amino-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
Formula:C14H11N3OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H11N3OClF |
| Smiles | Nc(cc1)ccc1C(N/N=C\c(c(F)ccc1)c1Cl)=O |
| InChI | InChI=1S/C14H11ClFN3O/c15-12-2-1-3-13(16)11(12)8-18-19-14(20)9-4-6-10(17)7-5-9/h1-8H,17H2,(H,19,20) |
| InChIK | ABGMDKXZUJXLDO-UHFFFAOYSA-N |
| TotalMolweight | 291.712 |
| Molweight | 291.712 |
| MonoisotopicMass | 291.057467 |
| CLogP | 3.2311 |
| CLogS | -4.847 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 217.28 |
| Relative PSA | 0.23601 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 3.0606 |
| 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 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-amino-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide | 2 - 4-amino-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
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