[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-2-ylmethanone
Formula:C22H19N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-2-ylmethanone is a drug-like molecule.
| MolName | [(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-2-ylmethanone |
| MolecularFormula | C22H19N3O3 |
| Smiles | O=C(c1ncccc1)N(C(C1CCC2)c3ccco3)N=C1/C2=C/c1ccco1 |
| InChI | InChI=1S/C22H19N3O3/c26-22(18-9-1-2-11-23-18)25-21(19-10-5-13-28-19)17-8-3-6-15(20(17)24-25)14-16-7-4-12-27-16/h1-2,4-5,7,9-14,17,21H,3,6,8H2 |
| InChIK | ZXLFIXUAIBHNAN-UHFFFAOYSA-N |
| TotalMolweight | 373.411 |
| Molweight | 373.411 |
| MonoisotopicMass | 373.142642 |
| CLogP | 3.287 |
| CLogS | -4.165 |
| H Acceptors | 6 |
| TotalSurfaceArea | 285.93 |
| Relative PSA | 0.23534 |
| PolarSurfaceArea | 71.84 |
| Druglikeness | 0.38152 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - [(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-2-ylmethanone | 2 - [(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-pyridin-2-ylmethanone
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