2-[(E)-2-(2,4-dinitrophenyl)ethenyl]benzaldehyde
Formula:C15H10N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(E)-2-(2,4-dinitrophenyl)ethenyl]benzaldehyde is a drug-like molecule.
| MolName | 2-[(E)-2-(2,4-dinitrophenyl)ethenyl]benzaldehyde |
| MolecularFormula | C15H10N2O5 |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(/C=C/c2c(C=O)cccc2)cc1)=O |
| InChI | InChI=1S/C15H10N2O5/c18-10-13-4-2-1-3-11(13)5-6-12-7-8-14(16(19)20)9-15(12)17(21)22/h1-10H |
| InChIK | KOGAWECZSJQKJW-UHFFFAOYSA-N |
| TotalMolweight | 298.253 |
| Molweight | 298.253 |
| MonoisotopicMass | 298.058973 |
| CLogP | 1.9567 |
| CLogS | -4.996 |
| H Acceptors | 7 |
| TotalSurfaceArea | 226.4 |
| Relative PSA | 0.32633 |
| PolarSurfaceArea | 108.71 |
| Druglikeness | -8.9742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[(E)-2-(2,4-dinitrophenyl)ethenyl]benzaldehyde | 2 - 2-[(E)-2-(2,4-dinitrophenyl)ethenyl]benzaldehyde
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