3-(furan-2-yl)-5-[(E)-2-(furan-2-yl)ethenyl]-2-phenyl-3,4-dihydropyrazole
Formula:C19H16N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(furan-2-yl)-5-[(E)-2-(furan-2-yl)ethenyl]-2-phenyl-3,4-dihydropyrazole is a drug-like molecule.
| MolName | 3-(furan-2-yl)-5-[(E)-2-(furan-2-yl)ethenyl]-2-phenyl-3,4-dihydropyrazole |
| MolecularFormula | C19H16N2O2 |
| Smiles | C(C1c2ccco2)C(/C=C/c2ccco2)=NN1c1ccccc1 |
| InChI | InChI=1S/C19H16N2O2/c1-2-6-16(7-3-1)21-18(19-9-5-13-23-19)14-15(20-21)10-11-17-8-4-12-22-17/h1-13,18H,14H2/t18-/m1/s1 |
| InChIK | VLTZONYFQFOYOS-GOSISDBHSA-N |
| TotalMolweight | 304.348 |
| Molweight | 304.348 |
| MonoisotopicMass | 304.121178 |
| CLogP | 4.0494 |
| CLogS | -4.059 |
| H Acceptors | 4 |
| TotalSurfaceArea | 244.69 |
| Relative PSA | 0.17688 |
| PolarSurfaceArea | 41.88 |
| Druglikeness | 2.6327 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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1 - 3-(furan-2-yl)-5-[(E)-2-(furan-2-yl)ethenyl]-2-phenyl-3,4-dihydropyrazole | 2 - 3-(furan-2-yl)-5-[(E)-2-(furan-2-yl)ethenyl]-2-phenyl-3,4-dihydropyrazole
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