1,3-bis[(E)-2-nitroethenyl]benzene
Formula:C10H8N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,3-bis[(E)-2-nitroethenyl]benzene is a drug-like molecule.
| MolName | 1,3-bis[(E)-2-nitroethenyl]benzene |
| MolecularFormula | C10H8N2O4 |
| Smiles | [O-][N+](/C=C/c1cccc(/C=C/[N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C10H8N2O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-8H |
| InChIK | BNOSAIZTNCKEMZ-UHFFFAOYSA-N |
| TotalMolweight | 220.184 |
| Molweight | 220.184 |
| MonoisotopicMass | 220.048408 |
| CLogP | -0.12 |
| CLogS | -3.636 |
| H Acceptors | 6 |
| TotalSurfaceArea | 173.6 |
| Relative PSA | 0.35046 |
| PolarSurfaceArea | 91.64 |
| Druglikeness | -7.0942 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| AcidicOxygens | 2 |
| StereoCon |
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