[(7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2-chlorophenyl)methanone
Formula:C27H21N2OBr2Cl
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-chlorophenyl)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-chlorophenyl)methanone |
| MolecularFormula | C27H21N2OBr2Cl |
| Smiles | O=C(c(cccc1)c1Cl)N(C(C1CCC2)c(cc3)ccc3Br)N=C1/C2=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C27H21Br2ClN2O/c28-20-12-8-17(9-13-20)16-19-4-3-6-23-25(19)31-32(26(23)18-10-14-21(29)15-11-18)27(33)22-5-1-2-7-24(22)30/h1-2,5,7-16,23,26H,3-4,6H2 |
| InChIK | YSXYJZXQCYQKNY-UHFFFAOYSA-N |
| TotalMolweight | 584.738 |
| Molweight | 584.738 |
| MonoisotopicMass | 581.970912 |
| CLogP | 7.9129 |
| CLogS | -7.976 |
| H Acceptors | 3 |
| TotalSurfaceArea | 360.47 |
| Relative PSA | 0.077954 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -1.008 |
| 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 - [(7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2-chlorophenyl)methanone | 2 - [(7E)-3-(4-bromophenyl)-7-[(4-bromophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(2-chlorophenyl)methanone
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