(E)-2-(benzotriazol-2-yl)-1,4-diphenylbut-3-en-1-ol
Formula:C22H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzotriazol-2-yl)-1,4-diphenylbut-3-en-1-ol is a drug-like molecule.
| MolName | (E)-2-(benzotriazol-2-yl)-1,4-diphenylbut-3-en-1-ol |
| MolecularFormula | C22H19N3O |
| Smiles | OC(C(/C=C/c1ccccc1)n1nc(cccc2)c2n1)c1ccccc1 |
| InChI | InChI=1S/C22H19N3O/c26-22(18-11-5-2-6-12-18)21(16-15-17-9-3-1-4-10-17)25-23-19-13-7-8-14-20(19)24-25/h1-16,21-22,26H |
| InChIK | ZKEYDRZJQNCJGV-UHFFFAOYSA-N |
| TotalMolweight | 341.413 |
| Molweight | 341.413 |
| MonoisotopicMass | 341.152812 |
| CLogP | 4.0767 |
| CLogS | -2.94 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 271.95 |
| Relative PSA | 0.15411 |
| PolarSurfaceArea | 50.94 |
| Druglikeness | 2.7396 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 3 |
| StereoCon | unknown chirality |
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1 - (E)-2-(benzotriazol-2-yl)-1,4-diphenylbut-3-en-1-ol | 2 - (E)-2-(benzotriazol-2-yl)-1,4-diphenylbut-3-en-1-ol
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