5-nitro-2,4-bis[(E)-2-phenylethenyl]aniline
Formula:C22H18N2O2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
5-nitro-2,4-bis[(E)-2-phenylethenyl]aniline is a drug-like molecule.
| MolName | 5-nitro-2,4-bis[(E)-2-phenylethenyl]aniline |
| MolecularFormula | C22H18N2O2 |
| Smiles | Nc1cc([N+]([O-])=O)c(/C=C/c2ccccc2)cc1/C=C/c1ccccc1 |
| InChI | InChI=1S/C22H18N2O2/c23-21-16-22(24(25)26)20(14-12-18-9-5-2-6-10-18)15-19(21)13-11-17-7-3-1-4-8-17/h1-16H,23H2 |
| InChIK | OUHJCZOFPGNMLY-UHFFFAOYSA-N |
| TotalMolweight | 342.397 |
| Molweight | 342.397 |
| MonoisotopicMass | 342.136828 |
| CLogP | 4.4747 |
| CLogS | -6.424 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 277.97 |
| Relative PSA | 0.16437 |
| PolarSurfaceArea | 71.84 |
| Druglikeness | -6.6191 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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