[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2-phenylquinolin-4-yl)methanone
Formula:C36H27N3OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2-phenylquinolin-4-yl)methanone is not a drug-like molecule.
| MolName | [(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2-phenylquinolin-4-yl)methanone |
| MolecularFormula | C36H27N3OCl2 |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N(C(C1CCC2)c(cc3)ccc3Cl)N=C1/C2=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C36H27Cl2N3O/c37-27-17-13-23(14-18-27)21-26-9-6-11-30-34(26)40-41(35(30)25-15-19-28(38)20-16-25)36(42)31-22-33(24-7-2-1-3-8-24)39-32-12-5-4-10-29(31)32/h1-5,7-8,10,12-22,30,35H,6,9,11H2 |
| InChIK | NJEUNUUFVAZYAU-UHFFFAOYSA-N |
| TotalMolweight | 588.536 |
| Molweight | 588.536 |
| MonoisotopicMass | 587.153116 |
| CLogP | 9.1347 |
| CLogS | -9.528 |
| H Acceptors | 4 |
| TotalSurfaceArea | 431.75 |
| Relative PSA | 0.090492 |
| PolarSurfaceArea | 45.56 |
| Druglikeness | 0.782 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - [(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2-phenylquinolin-4-yl)methanone | 2 - [(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2-phenylquinolin-4-yl)methanone
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