4-bromo-2-[(Z)-C-phenylcarbonohydrazonoyl]aniline
Formula:C13H12N3Br
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
4-bromo-2-[(Z)-C-phenylcarbonohydrazonoyl]aniline is a drug-like molecule.
| MolName | 4-bromo-2-[(Z)-C-phenylcarbonohydrazonoyl]aniline |
| MolecularFormula | C13H12N3Br |
| Smiles | Nc(ccc(Br)c1)c1/C(/c1ccccc1)=N\N |
| InChI | InChI=1S/C13H12BrN3/c14-10-6-7-12(15)11(8-10)13(17-16)9-4-2-1-3-5-9/h1-8H,15-16H2 |
| InChIK | IRDUHPSVEBCHJM-UHFFFAOYSA-N |
| TotalMolweight | 290.163 |
| Molweight | 290.163 |
| MonoisotopicMass | 289.021458 |
| CLogP | 2.8114 |
| CLogS | -5.079 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 191.66 |
| Relative PSA | 0.2194 |
| PolarSurfaceArea | 64.4 |
| Druglikeness | -4.5485 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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