(4-bromo-2-nitrophenyl)hydrazine
Formula:C6H6N3O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4-bromo-2-nitrophenyl)hydrazine is a drug-like molecule.
| MolName | (4-bromo-2-nitrophenyl)hydrazine |
| MolecularFormula | C6H6N3O2Br |
| Smiles | NNc(ccc(Br)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C6H6BrN3O2/c7-4-1-2-5(9-8)6(3-4)10(11)12/h1-3,9H,8H2 |
| InChIK | RMMLHCYLAJHQDI-UHFFFAOYSA-N |
| TotalMolweight | 232.037 |
| Molweight | 232.037 |
| MonoisotopicMass | 230.964338 |
| CLogP | 1.4257 |
| CLogS | -2.704 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 135.54 |
| Relative PSA | 0.42165 |
| PolarSurfaceArea | 83.87 |
| Druglikeness | -11.653 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; hydrazine |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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