2-benzyl-5-[(E)-2-(furan-2-yl)ethenyl]-3,4-dihydropyrazole
Formula:C16H16N2O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-benzyl-5-[(E)-2-(furan-2-yl)ethenyl]-3,4-dihydropyrazole is a drug-like molecule.
| MolName | 2-benzyl-5-[(E)-2-(furan-2-yl)ethenyl]-3,4-dihydropyrazole |
| MolecularFormula | C16H16N2O |
| Smiles | C(c1ccccc1)N(CC1)N=C1/C=C/c1ccco1 |
| InChI | InChI=1S/C16H16N2O/c1-2-5-14(6-3-1)13-18-11-10-15(17-18)8-9-16-7-4-12-19-16/h1-9,12H,10-11,13H2 |
| InChIK | TZJJEWQIWXRFAJ-UHFFFAOYSA-N |
| TotalMolweight | 252.316 |
| Molweight | 252.316 |
| MonoisotopicMass | 252.126263 |
| CLogP | 2.8123 |
| CLogS | -3.391 |
| H Acceptors | 3 |
| TotalSurfaceArea | 210.26 |
| Relative PSA | 0.13873 |
| PolarSurfaceArea | 28.74 |
| Druglikeness | 3.4531 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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