(E)-N-[2-nitro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl bromide
Formula:C14H9N3O2BrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-nitro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl bromide is a drug-like molecule.
| MolName | (E)-N-[2-nitro-4-(trifluoromethyl)phenyl]benzenecarbohydrazonoyl bromide |
| MolecularFormula | C14H9N3O2BrF3 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1N/N=C(\c1ccccc1)/Br)=O |
| InChI | InChI=1S/C14H9BrF3N3O2/c15-13(9-4-2-1-3-5-9)20-19-11-7-6-10(14(16,17)18)8-12(11)21(22)23/h1-8,19H |
| InChIK | SFHCORPHXGIFOO-UHFFFAOYSA-N |
| TotalMolweight | 388.142 |
| Molweight | 388.142 |
| MonoisotopicMass | 386.983022 |
| CLogP | 4.8885 |
| CLogS | -5.551 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 239.21 |
| Relative PSA | 0.22319 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -15.449 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type; aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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