(1Z)-2-anilino-2-oxo-N-phenylethanehydrazonoyl bromide
Formula:C14H12N3OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1Z)-2-anilino-2-oxo-N-phenylethanehydrazonoyl bromide is a drug-like molecule.
| MolName | (1Z)-2-anilino-2-oxo-N-phenylethanehydrazonoyl bromide |
| MolecularFormula | C14H12N3OBr |
| Smiles | O=C(/C(/Br)=N/Nc1ccccc1)Nc1ccccc1 |
| InChI | InChI=1S/C14H12BrN3O/c15-13(18-17-12-9-5-2-6-10-12)14(19)16-11-7-3-1-4-8-11/h1-10,17H,(H,16,19) |
| InChIK | MTHCRCVCWKUMSJ-UHFFFAOYSA-N |
| TotalMolweight | 318.173 |
| Molweight | 318.173 |
| MonoisotopicMass | 317.016373 |
| CLogP | 3.8479 |
| CLogS | -2.86 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 215.29 |
| Relative PSA | 0.22049 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -3.419 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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