1-[(Z)-2-bromo-2-nitroethenyl]-2-nitrobenzene
Formula:C8H5N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-2-bromo-2-nitroethenyl]-2-nitrobenzene is a drug-like molecule.
| MolName | 1-[(Z)-2-bromo-2-nitroethenyl]-2-nitrobenzene |
| MolecularFormula | C8H5N2O4Br |
| Smiles | [O-][N+](/C(/Br)=C/c(cccc1)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C8H5BrN2O4/c9-8(11(14)15)5-6-3-1-2-4-7(6)10(12)13/h1-5H |
| InChIK | WOPRPKBOEUYAPB-UHFFFAOYSA-N |
| TotalMolweight | 273.042 |
| Molweight | 273.042 |
| MonoisotopicMass | 271.943269 |
| CLogP | 1.0327 |
| CLogS | -3.985 |
| H Acceptors | 6 |
| TotalSurfaceArea | 163.94 |
| Relative PSA | 0.37111 |
| PolarSurfaceArea | 91.64 |
| Druglikeness | -10.394 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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