1-[(Z)-2-cyclohexyl-1-phenylethenyl]benzotriazole
Formula:C20H21N3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-2-cyclohexyl-1-phenylethenyl]benzotriazole is a drug-like molecule.
| MolName | 1-[(Z)-2-cyclohexyl-1-phenylethenyl]benzotriazole |
| MolecularFormula | C20H21N3 |
| Smiles | C(CC1)CCC1/C=C(/c1ccccc1)\n1nnc2c1cccc2 |
| InChI | InChI=1S/C20H21N3/c1-3-9-16(10-4-1)15-20(17-11-5-2-6-12-17)23-19-14-8-7-13-18(19)21-22-23/h2,5-8,11-16H,1,3-4,9-10H2 |
| InChIK | CGAGJABXGNNHHP-UHFFFAOYSA-N |
| TotalMolweight | 303.408 |
| Molweight | 303.408 |
| MonoisotopicMass | 303.173547 |
| CLogP | 4.7913 |
| CLogS | -5.919 |
| H Acceptors | 3 |
| TotalSurfaceArea | 246.85 |
| Relative PSA | 0.11671 |
| PolarSurfaceArea | 30.71 |
| Druglikeness | -7.5198 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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