(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
Formula:C20H18N2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole is not a drug-like molecule.
| MolName | (7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole |
| MolecularFormula | C20H18N2Cl2 |
| Smiles | Clc1ccc(C(C2CCC3)NN=C2/C3=C/c(cc2)ccc2Cl)cc1 |
| InChI | InChI=1S/C20H18Cl2N2/c21-16-8-4-13(5-9-16)12-15-2-1-3-18-19(23-24-20(15)18)14-6-10-17(22)11-7-14/h4-12,18-19,23H,1-3H2 |
| InChIK | HDSLHZWRUNNLHN-UHFFFAOYSA-N |
| TotalMolweight | 357.283 |
| Molweight | 357.283 |
| MonoisotopicMass | 356.084702 |
| CLogP | 5.5503 |
| CLogS | -6.097 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 262.28 |
| Relative PSA | 0.087578 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -0.60167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole | 2 - (7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2,3,3a,4,5,6-hexahydroindazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off