2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]pyridine
Formula:C14H10N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]pyridine is a drug-like molecule.
| MolName | 2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]pyridine |
| MolecularFormula | C14H10N2O4 |
| Smiles | [O-][N+](c1c(/C=C/c2ncccc2)cc2OCOc2c1)=O |
| InChI | InChI=1S/C14H10N2O4/c17-16(18)12-8-14-13(19-9-20-14)7-10(12)4-5-11-3-1-2-6-15-11/h1-8H,9H2 |
| InChIK | CFLIAJWQICIFDF-UHFFFAOYSA-N |
| TotalMolweight | 270.243 |
| Molweight | 270.243 |
| MonoisotopicMass | 270.064058 |
| CLogP | 2.1095 |
| CLogS | -4.152 |
| H Acceptors | 6 |
| TotalSurfaceArea | 202.21 |
| Relative PSA | 0.3036 |
| PolarSurfaceArea | 77.17 |
| Druglikeness | -6.5613 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]pyridine | 2 - 2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]pyridine
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