N-[(Z)-(4-bromophenyl)methylideneamino]-2-fluorobenzamide
Formula:C14H10N2OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-fluorobenzamide |
| MolecularFormula | C14H10N2OBrF |
| Smiles | O=C(c(cccc1)c1F)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C14H10BrFN2O/c15-11-7-5-10(6-8-11)9-17-18-14(19)12-3-1-2-4-13(12)16/h1-9H,(H,18,19) |
| InChIK | VLEHQNOIWMFWMN-UHFFFAOYSA-N |
| TotalMolweight | 321.148 |
| Molweight | 321.148 |
| MonoisotopicMass | 319.996052 |
| CLogP | 4.0276 |
| CLogS | -4.869 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 211.97 |
| Relative PSA | 0.16988 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 1.3387 |
| 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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