2,4-bis[(E)-2-(4-nitrophenyl)ethenyl]pyridine
Formula:C21H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-bis[(E)-2-(4-nitrophenyl)ethenyl]pyridine is a drug-like molecule.
| MolName | 2,4-bis[(E)-2-(4-nitrophenyl)ethenyl]pyridine |
| MolecularFormula | C21H15N3O4 |
| Smiles | [O-][N+](c1ccc(/C=C/c2cc(/C=C/c(cc3)ccc3[N+]([O-])=O)ncc2)cc1)=O |
| InChI | InChI=1S/C21H15N3O4/c25-23(26)20-9-4-16(5-10-20)1-2-18-13-14-22-19(15-18)8-3-17-6-11-21(12-7-17)24(27)28/h1-15H |
| InChIK | VUCDUCDVRKBZIA-UHFFFAOYSA-N |
| TotalMolweight | 373.367 |
| Molweight | 373.367 |
| MonoisotopicMass | 373.106257 |
| CLogP | 3.2835 |
| CLogS | -6.037 |
| H Acceptors | 7 |
| TotalSurfaceArea | 291.88 |
| Relative PSA | 0.24603 |
| PolarSurfaceArea | 104.53 |
| Druglikeness | -6.6608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2,4-bis[(E)-2-(4-nitrophenyl)ethenyl]pyridine | 2 - 2,4-bis[(E)-2-(4-nitrophenyl)ethenyl]pyridine
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