2-(3-fluorophenoxy)-1-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone
Formula:C28H23N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-fluorophenoxy)-1-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone is not a drug-like molecule.
| MolName | 2-(3-fluorophenoxy)-1-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone |
| MolecularFormula | C28H23N2O2F3 |
| Smiles | O=C(COc1cccc(F)c1)N(C(C1CCC2)c(cc3)ccc3F)N=C1/C2=C/c(cc1)ccc1F |
| InChI | InChI=1S/C28H23F3N2O2/c29-21-11-7-18(8-12-21)15-20-3-1-6-25-27(20)32-33(28(25)19-9-13-22(30)14-10-19)26(34)17-35-24-5-2-4-23(31)16-24/h2,4-5,7-16,25,28H,1,3,6,17H2 |
| InChIK | AUQFMTMQKZIERK-UHFFFAOYSA-N |
| TotalMolweight | 476.497 |
| Molweight | 476.497 |
| MonoisotopicMass | 476.171162 |
| CLogP | 5.7338 |
| CLogS | -6.294 |
| H Acceptors | 4 |
| TotalSurfaceArea | 350.6 |
| Relative PSA | 0.10867 |
| PolarSurfaceArea | 41.9 |
| Druglikeness | -0.68003 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-(3-fluorophenoxy)-1-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone | 2 - 2-(3-fluorophenoxy)-1-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone
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