1-[(E)-2-phenylethenyl]benzotriazole
Formula:C14H11N3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(E)-2-phenylethenyl]benzotriazole is a drug-like molecule.
| MolName | 1-[(E)-2-phenylethenyl]benzotriazole |
| MolecularFormula | C14H11N3 |
| Smiles | C(c1ccccc1)=C/n1nnc2c1cccc2 |
| InChI | InChI=1S/C14H11N3/c1-2-6-12(7-3-1)10-11-17-14-9-5-4-8-13(14)15-16-17/h1-11H |
| InChIK | KPKDVQRPXRDPPT-UHFFFAOYSA-N |
| TotalMolweight | 221.262 |
| Molweight | 221.262 |
| MonoisotopicMass | 221.095297 |
| CLogP | 2.372 |
| CLogS | -3.599 |
| H Acceptors | 3 |
| TotalSurfaceArea | 180.84 |
| Relative PSA | 0.15931 |
| PolarSurfaceArea | 30.71 |
| Druglikeness | -3.6175 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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