[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-3-ylmethanone
Formula:C26H21N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-3-ylmethanone is not a drug-like molecule.
| MolName | [(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-3-ylmethanone |
| MolecularFormula | C26H21N3OCl2 |
| Smiles | O=C(c1cnccc1)N(C(C1CCC2)c(cc3)ccc3Cl)N=C1/C2=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C26H21Cl2N3O/c27-21-10-6-17(7-11-21)15-19-3-1-5-23-24(19)30-31(26(32)20-4-2-14-29-16-20)25(23)18-8-12-22(28)13-9-18/h2,4,6-16,23,25H,1,3,5H2 |
| InChIK | DREAZDBEZRPZSW-UHFFFAOYSA-N |
| TotalMolweight | 462.379 |
| Molweight | 462.379 |
| MonoisotopicMass | 461.106166 |
| CLogP | 6.0676 |
| CLogS | -6.249 |
| H Acceptors | 4 |
| TotalSurfaceArea | 337.39 |
| Relative PSA | 0.1158 |
| PolarSurfaceArea | 45.56 |
| Druglikeness | 0.782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| 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]-pyridin-3-ylmethanone | 2 - [(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-3-ylmethanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off