(4-bromophenyl)-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
Formula:C27H21N2OBrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-bromophenyl)-[(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 | (4-bromophenyl)-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone |
| MolecularFormula | C27H21N2OBrCl2 |
| Smiles | O=C(c(cc1)ccc1Br)N(C(C1CCC2)c(cc3)ccc3Cl)N=C1/C2=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C27H21BrCl2N2O/c28-21-10-6-19(7-11-21)27(33)32-26(18-8-14-23(30)15-9-18)24-3-1-2-20(25(24)31-32)16-17-4-12-22(29)13-5-17/h4-16,24,26H,1-3H2 |
| InChIK | HJHLKNNMQSSGSH-UHFFFAOYSA-N |
| TotalMolweight | 540.287 |
| Molweight | 540.287 |
| MonoisotopicMass | 538.021428 |
| CLogP | 7.7937 |
| CLogS | -7.878 |
| H Acceptors | 3 |
| TotalSurfaceArea | 357.26 |
| Relative PSA | 0.078654 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -1.008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| 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 | 6 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (4-bromophenyl)-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone | 2 - (4-bromophenyl)-[(7E)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
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