1-nitro-2-[(E)-2-nitro-2-phenylethenyl]benzene
Formula:C14H10N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-nitro-2-[(E)-2-nitro-2-phenylethenyl]benzene is a drug-like molecule.
| MolName | 1-nitro-2-[(E)-2-nitro-2-phenylethenyl]benzene |
| MolecularFormula | C14H10N2O4 |
| Smiles | [O-][N+](/C(/c1ccccc1)=C/c(cccc1)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C14H10N2O4/c17-15(18)13-9-5-4-8-12(13)10-14(16(19)20)11-6-2-1-3-7-11/h1-10H |
| InChIK | XMYWYUJXGBUBLU-UHFFFAOYSA-N |
| TotalMolweight | 270.243 |
| Molweight | 270.243 |
| MonoisotopicMass | 270.064058 |
| CLogP | 1.6348 |
| CLogS | -4.172 |
| H Acceptors | 6 |
| TotalSurfaceArea | 205.07 |
| Relative PSA | 0.29668 |
| PolarSurfaceArea | 91.64 |
| Druglikeness | -6.4342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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