(1Z)-2-anilino-2-oxo-N-[3-(trifluoromethyl)phenyl]ethanehydrazonoyl bromide
Formula:C15H11N3OBrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-2-anilino-2-oxo-N-[3-(trifluoromethyl)phenyl]ethanehydrazonoyl bromide is a drug-like molecule.
| MolName | (1Z)-2-anilino-2-oxo-N-[3-(trifluoromethyl)phenyl]ethanehydrazonoyl bromide |
| MolecularFormula | C15H11N3OBrF3 |
| Smiles | O=C(/C(/Br)=N/Nc1cc(C(F)(F)F)ccc1)Nc1ccccc1 |
| InChI | InChI=1S/C15H11BrF3N3O/c16-13(14(23)20-11-6-2-1-3-7-11)22-21-12-8-4-5-10(9-12)15(17,18)19/h1-9,21H,(H,20,23) |
| InChIK | PNFINEKSHLDJIV-UHFFFAOYSA-N |
| TotalMolweight | 386.17 |
| Molweight | 386.17 |
| MonoisotopicMass | 385.003757 |
| CLogP | 4.6962 |
| CLogS | -3.638 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 244.75 |
| Relative PSA | 0.19395 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -10.609 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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