(7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole
Formula:C26H22N2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole is not a drug-like molecule.
| MolName | (7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole |
| MolecularFormula | C26H22N2Br2 |
| Smiles | Brc1ccc(C(C2CCC3)N(c4ccccc4)N=C2/C3=C/c(cc2)ccc2Br)cc1 |
| InChI | InChI=1S/C26H22Br2N2/c27-21-13-9-18(10-14-21)17-20-5-4-8-24-25(20)29-30(23-6-2-1-3-7-23)26(24)19-11-15-22(28)16-12-19/h1-3,6-7,9-17,24,26H,4-5,8H2 |
| InChIK | QHYMTPMUQQRKRP-UHFFFAOYSA-N |
| TotalMolweight | 522.283 |
| Molweight | 522.283 |
| MonoisotopicMass | 520.01497 |
| CLogP | 7.7567 |
| CLogS | -7.003 |
| H Acceptors | 2 |
| TotalSurfaceArea | 327.3 |
| Relative PSA | 0.046013 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | -1.5426 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole | 2 - (7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole
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