2-phenyl-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
Formula:C19H16N2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-phenyl-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 2-phenyl-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole |
| MolecularFormula | C19H16N2S2 |
| Smiles | C(C1c2cccs2)C(/C=C/c2cccs2)=NN1c1ccccc1 |
| InChI | InChI=1S/C19H16N2S2/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 | ZVRGFIIQETVMJI-GOSISDBHSA-N |
| TotalMolweight | 336.482 |
| Molweight | 336.482 |
| MonoisotopicMass | 336.075488 |
| CLogP | 5.4052 |
| CLogS | -4.715 |
| H Acceptors | 2 |
| TotalSurfaceArea | 257.19 |
| Relative PSA | 0.21688 |
| PolarSurfaceArea | 72.08 |
| Druglikeness | 4.5955 |
| Mutagenic | none |
| 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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