1-[(E)-3-anthracen-9-ylprop-2-enyl]benzotriazole
Formula:C23H17N3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(E)-3-anthracen-9-ylprop-2-enyl]benzotriazole is not a drug-like molecule.
| MolName | 1-[(E)-3-anthracen-9-ylprop-2-enyl]benzotriazole |
| MolecularFormula | C23H17N3 |
| Smiles | C(/C=C/c1c(cccc2)c2cc2ccccc12)n1nnc2c1cccc2 |
| InChI | InChI=1S/C23H17N3/c1-3-10-19-17(8-1)16-18-9-2-4-11-20(18)21(19)12-7-15-26-23-14-6-5-13-22(23)24-25-26/h1-14,16H,15H2 |
| InChIK | JAGXOMZTEABINH-UHFFFAOYSA-N |
| TotalMolweight | 335.409 |
| Molweight | 335.409 |
| MonoisotopicMass | 335.142247 |
| CLogP | 5.2247 |
| CLogS | -6.525 |
| H Acceptors | 3 |
| TotalSurfaceArea | 263.8 |
| Relative PSA | 0.10921 |
| PolarSurfaceArea | 30.71 |
| Druglikeness | -2.7551 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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