(1Z)-2-anilino-N-(4-fluorophenyl)-2-oxoethanehydrazonoyl bromide
Formula:C14H11N3OBrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-2-anilino-N-(4-fluorophenyl)-2-oxoethanehydrazonoyl bromide is a drug-like molecule.
| MolName | (1Z)-2-anilino-N-(4-fluorophenyl)-2-oxoethanehydrazonoyl bromide |
| MolecularFormula | C14H11N3OBrF |
| Smiles | O=C(/C(/Br)=N/Nc(cc1)ccc1F)Nc1ccccc1 |
| InChI | InChI=1S/C14H11BrFN3O/c15-13(14(20)17-11-4-2-1-3-5-11)19-18-12-8-6-10(16)7-9-12/h1-9,18H,(H,17,20) |
| InChIK | VWTVYYQAIDHGSB-UHFFFAOYSA-N |
| TotalMolweight | 336.163 |
| Molweight | 336.163 |
| MonoisotopicMass | 335.006951 |
| CLogP | 3.9487 |
| CLogS | -3.174 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 221.64 |
| Relative PSA | 0.21418 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -4.759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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