1,3-bis[(Z)-2-bromo-2-nitroethenyl]benzene
Formula:C10H6N2O4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,3-bis[(Z)-2-bromo-2-nitroethenyl]benzene is a drug-like molecule.
| MolName | 1,3-bis[(Z)-2-bromo-2-nitroethenyl]benzene |
| MolecularFormula | C10H6N2O4Br2 |
| Smiles | [O-][N+](/C(/Br)=C/c1cccc(/C=C(/[N+]([O-])=O)\Br)c1)=O |
| InChI | InChI=1S/C10H6Br2N2O4/c11-9(13(15)16)5-7-2-1-3-8(4-7)6-10(12)14(17)18/h1-6H |
| InChIK | AZJDGZSBEGMSHC-UHFFFAOYSA-N |
| TotalMolweight | 377.976 |
| Molweight | 377.976 |
| MonoisotopicMass | 375.86943 |
| CLogP | 2.249 |
| CLogS | -5.434 |
| H Acceptors | 6 |
| TotalSurfaceArea | 207.28 |
| Relative PSA | 0.29352 |
| PolarSurfaceArea | 91.64 |
| Druglikeness | -10.394 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| AcidicOxygens | 2 |
| StereoCon |
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