2-benzyl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
Formula:C16H16N2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzyl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole is a drug-like molecule.
| MolName | 2-benzyl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole |
| MolecularFormula | C16H16N2S |
| Smiles | C(c1ccccc1)N(CC1)N=C1/C=C/c1cccs1 |
| InChI | InChI=1S/C16H16N2S/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 | RDXBFNBAENVQDG-UHFFFAOYSA-N |
| TotalMolweight | 268.383 |
| Molweight | 268.383 |
| MonoisotopicMass | 268.103418 |
| CLogP | 3.4902 |
| CLogS | -3.719 |
| H Acceptors | 2 |
| TotalSurfaceArea | 216.51 |
| Relative PSA | 0.1636 |
| PolarSurfaceArea | 43.84 |
| Druglikeness | 5.3663 |
| Mutagenic | none |
| 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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