(3-chlorophenyl)-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
Formula:C27H21N2OClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3-chlorophenyl)-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is not a drug-like molecule.
| MolName | (3-chlorophenyl)-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone |
| MolecularFormula | C27H21N2OClF2 |
| Smiles | O=C(c1cccc(Cl)c1)N(C(C1CCC2)c(cc3)ccc3F)N=C1/C2=C/c(cc1)ccc1F |
| InChI | InChI=1S/C27H21ClF2N2O/c28-21-5-1-4-20(16-21)27(33)32-26(18-9-13-23(30)14-10-18)24-6-2-3-19(25(24)31-32)15-17-7-11-22(29)12-8-17/h1,4-5,7-16,24,26H,2-3,6H2 |
| InChIK | ZBVPZTVHJSGIED-UHFFFAOYSA-N |
| TotalMolweight | 462.926 |
| Molweight | 462.926 |
| MonoisotopicMass | 462.131046 |
| CLogP | 6.6641 |
| CLogS | -6.936 |
| H Acceptors | 3 |
| TotalSurfaceArea | 335.91 |
| Relative PSA | 0.083653 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -0.558 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| 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 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (3-chlorophenyl)-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone | 2 - (3-chlorophenyl)-[(7E)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
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