(3-chlorophenyl)-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
Formula:C27H21N2OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3-chlorophenyl)-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is not a drug-like molecule.
| MolName | (3-chlorophenyl)-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone |
| MolecularFormula | C27H21N2OCl3 |
| Smiles | O=C(c1cccc(Cl)c1)N(C(C1CCC2)c(cc3)ccc3Cl)N=C1/C2=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C27H21Cl3N2O/c28-21-11-7-17(8-12-21)15-19-3-2-6-24-25(19)31-32(26(24)18-9-13-22(29)14-10-18)27(33)20-4-1-5-23(30)16-20/h1,4-5,7-16,24,26H,2-3,6H2 |
| InChIK | AEYGMGPKRPEQOL-UHFFFAOYSA-N |
| TotalMolweight | 495.836 |
| Molweight | 495.836 |
| MonoisotopicMass | 494.071944 |
| CLogP | 7.6745 |
| CLogS | -7.78 |
| H Acceptors | 3 |
| TotalSurfaceArea | 354.05 |
| Relative PSA | 0.079367 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 0.782 |
| 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-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone | 2 - (3-chlorophenyl)-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
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