[(7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2,4-dichlorophenyl)methanone
Formula:C27H20N2OBr2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2,4-dichlorophenyl)methanone is not a drug-like molecule.
| MolName | [(7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2,4-dichlorophenyl)methanone |
| MolecularFormula | C27H20N2OBr2Cl2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N(C(C1CCC2)c(cc3)ccc3Br)N=C1/C2=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C27H20Br2Cl2N2O/c28-19-8-4-16(5-9-19)14-18-2-1-3-23-25(18)32-33(26(23)17-6-10-20(29)11-7-17)27(34)22-13-12-21(30)15-24(22)31/h4-15,23,26H,1-3H2 |
| InChIK | NZXBMCIOCSLFGR-UHFFFAOYSA-N |
| TotalMolweight | 619.183 |
| Molweight | 619.183 |
| MonoisotopicMass | 615.931939 |
| CLogP | 8.5189 |
| CLogS | -8.712 |
| H Acceptors | 3 |
| TotalSurfaceArea | 375.89 |
| Relative PSA | 0.074756 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -1.008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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 - [(7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2,4-dichlorophenyl)methanone | 2 - [(7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2,4-dichlorophenyl)methanone
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