(7E)-7-benzylidene-2,3-diphenyl-3a,4,5,6-tetrahydro-3H-indazole
Formula:C26H24N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7E)-7-benzylidene-2,3-diphenyl-3a,4,5,6-tetrahydro-3H-indazole is not a drug-like molecule.
| MolName | (7E)-7-benzylidene-2,3-diphenyl-3a,4,5,6-tetrahydro-3H-indazole |
| MolecularFormula | C26H24N2 |
| Smiles | C(CC(C1c2ccccc2)C2=NN1c1ccccc1)C/C2=C\c1ccccc1 |
| InChI | InChI=1S/C26H24N2/c1-4-11-20(12-5-1)19-22-15-10-18-24-25(22)27-28(23-16-8-3-9-17-23)26(24)21-13-6-2-7-14-21/h1-9,11-14,16-17,19,24,26H,10,15,18H2 |
| InChIK | ZOJBDGHYJINECO-UHFFFAOYSA-N |
| TotalMolweight | 364.491 |
| Molweight | 364.491 |
| MonoisotopicMass | 364.193948 |
| CLogP | 6.3063 |
| CLogS | -5.335 |
| H Acceptors | 2 |
| TotalSurfaceArea | 290.04 |
| Relative PSA | 0.051924 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 0.24741 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon | unknown chirality |
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1 - (7E)-7-benzylidene-2,3-diphenyl-3a,4,5,6-tetrahydro-3H-indazole | 2 - (7E)-7-benzylidene-2,3-diphenyl-3a,4,5,6-tetrahydro-3H-indazole
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