(7E)-3-(2-chlorophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole
Formula:C24H21N2OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(7E)-3-(2-chlorophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole is not a drug-like molecule.
| MolName | (7E)-3-(2-chlorophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole |
| MolecularFormula | C24H21N2OCl |
| Smiles | Clc1c(C(C2CCC3)N(c4ccccc4)N=C2/C3=C/c2ccco2)cccc1 |
| InChI | InChI=1S/C24H21ClN2O/c25-22-14-5-4-12-20(22)24-21-13-6-8-17(16-19-11-7-15-28-19)23(21)26-27(24)18-9-2-1-3-10-18/h1-5,7,9-12,14-16,21,24H,6,8,13H2 |
| InChIK | IAOPIHQPHYYGAG-UHFFFAOYSA-N |
| TotalMolweight | 388.897 |
| Molweight | 388.897 |
| MonoisotopicMass | 388.13424 |
| CLogP | 6.101 |
| CLogS | -5.753 |
| H Acceptors | 3 |
| TotalSurfaceArea | 295.15 |
| Relative PSA | 0.098831 |
| PolarSurfaceArea | 28.74 |
| Druglikeness | -0.20752 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
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1 - (7E)-3-(2-chlorophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole | 2 - (7E)-3-(2-chlorophenyl)-7-(furan-2-ylmethylidene)-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole
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