1-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-(4-phenoxyphenoxy)ethanone
Formula:C34H28N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-(4-phenoxyphenoxy)ethanone is not a drug-like molecule.
| MolName | 1-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-(4-phenoxyphenoxy)ethanone |
| MolecularFormula | C34H28N2O3Cl2 |
| Smiles | O=C(COc(cc1)ccc1Oc1ccccc1)N(C(C1CCC2)c(cc3)ccc3Cl)N=C1/C2=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C34H28Cl2N2O3/c35-26-13-9-23(10-14-26)21-25-5-4-8-31-33(25)37-38(34(31)24-11-15-27(36)16-12-24)32(39)22-40-28-17-19-30(20-18-28)41-29-6-2-1-3-7-29/h1-3,6-7,9-21,31,34H,4-5,8,22H2 |
| InChIK | XDZDRWJOZRELND-UHFFFAOYSA-N |
| TotalMolweight | 583.513 |
| Molweight | 583.513 |
| MonoisotopicMass | 582.147697 |
| CLogP | 8.039 |
| CLogS | -9.121 |
| H Acceptors | 5 |
| TotalSurfaceArea | 432.15 |
| Relative PSA | 0.1113 |
| PolarSurfaceArea | 51.13 |
| Druglikeness | 0.71541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53659 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 1-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-(4-phenoxyphenoxy)ethanone | 2 - 1-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-(4-phenoxyphenoxy)ethanone
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