2-[4-[(E)-2-phenylethenyl]phenyl]benzo[e]benzotriazole
Formula:C24H17N3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[4-[(E)-2-phenylethenyl]phenyl]benzo[e]benzotriazole is not a drug-like molecule.
| MolName | 2-[4-[(E)-2-phenylethenyl]phenyl]benzo[e]benzotriazole |
| MolecularFormula | C24H17N3 |
| Smiles | C(c1ccccc1)=C/c(cc1)ccc1-n1nc2c(cccc3)c3ccc2n1 |
| InChI | InChI=1S/C24H17N3/c1-2-6-18(7-3-1)10-11-19-12-15-21(16-13-19)27-25-23-17-14-20-8-4-5-9-22(20)24(23)26-27/h1-17H |
| InChIK | JAONWSWNLZLNFS-UHFFFAOYSA-N |
| TotalMolweight | 347.42 |
| Molweight | 347.42 |
| MonoisotopicMass | 347.142247 |
| CLogP | 5.7373 |
| CLogS | -6.279 |
| H Acceptors | 3 |
| TotalSurfaceArea | 275.2 |
| Relative PSA | 0.10469 |
| PolarSurfaceArea | 30.71 |
| Druglikeness | 2.2279 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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