4-chloro-N-[(Z)-(3-fluorophenyl)methylideneamino]benzamide
Formula:C14H10N2OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-(3-fluorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(3-fluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H10N2OClF |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C\c1cc(F)ccc1 |
| InChI | InChI=1S/C14H10ClFN2O/c15-12-6-4-11(5-7-12)14(19)18-17-9-10-2-1-3-13(16)8-10/h1-9H,(H,18,19) |
| InChIK | VLZBSNKTWGNOPQ-UHFFFAOYSA-N |
| TotalMolweight | 276.697 |
| Molweight | 276.697 |
| MonoisotopicMass | 276.046568 |
| CLogP | 3.9084 |
| CLogS | -4.771 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 208.76 |
| Relative PSA | 0.17249 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.1315 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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