1-(4-nitrophenyl)-4-[(E)-2-phenylethenyl]benzene
Formula:C20H15NO2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
1-(4-nitrophenyl)-4-[(E)-2-phenylethenyl]benzene is a drug-like molecule.
| MolName | 1-(4-nitrophenyl)-4-[(E)-2-phenylethenyl]benzene |
| MolecularFormula | C20H15NO2 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=C/c2ccccc2)cc1)=O |
| InChI | InChI=1S/C20H15NO2/c22-21(23)20-14-12-19(13-15-20)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-15H |
| InChIK | RLPAHGQVTXMMIR-UHFFFAOYSA-N |
| TotalMolweight | 301.344 |
| Molweight | 301.344 |
| MonoisotopicMass | 301.110279 |
| CLogP | 4.6042 |
| CLogS | -6.298 |
| H Acceptors | 3 |
| TotalSurfaceArea | 242.95 |
| Relative PSA | 0.12521 |
| PolarSurfaceArea | 45.82 |
| Druglikeness | -6.9544 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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