[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-2-ylmethanone
Formula:C26H21N3OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-2-ylmethanone is not a drug-like molecule.
| MolName | [(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-2-ylmethanone |
| MolecularFormula | C26H21N3OF2 |
| Smiles | O=C(c1ncccc1)N(C(C1CCC2)c(cc3)ccc3F)N=C1/C2=C/c(cc1)ccc1F |
| InChI | InChI=1S/C26H21F2N3O/c27-20-11-7-17(8-12-20)16-19-4-3-5-22-24(19)30-31(26(32)23-6-1-2-15-29-23)25(22)18-9-13-21(28)14-10-18/h1-2,6-16,22,25H,3-5H2 |
| InChIK | ITAUVHRNEHROPH-UHFFFAOYSA-N |
| TotalMolweight | 429.469 |
| Molweight | 429.469 |
| MonoisotopicMass | 429.165268 |
| CLogP | 5.1112 |
| CLogS | -5.429 |
| H Acceptors | 4 |
| TotalSurfaceArea | 319.25 |
| Relative PSA | 0.12238 |
| PolarSurfaceArea | 45.56 |
| Druglikeness | -0.59903 |
| 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-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-2-ylmethanone | 2 - [(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-2-ylmethanone
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