2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
Formula:C19H15N2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole |
| MolecularFormula | C19H15N2ClS2 |
| Smiles | Clc(cc1)ccc1N(C(C1)c2cccs2)N=C1/C=C/c1cccs1 |
| InChI | InChI=1S/C19H15ClN2S2/c20-14-5-8-16(9-6-14)22-18(19-4-2-12-24-19)13-15(21-22)7-10-17-3-1-11-23-17/h1-12,18H,13H2/t18-/m0/s1 |
| InChIK | DRGPHXMJECBVAO-SFHVURJKSA-N |
| TotalMolweight | 370.927 |
| Molweight | 370.927 |
| MonoisotopicMass | 370.036515 |
| CLogP | 6.0112 |
| CLogS | -5.451 |
| H Acceptors | 2 |
| TotalSurfaceArea | 272.61 |
| Relative PSA | 0.20461 |
| PolarSurfaceArea | 72.08 |
| Druglikeness | 4.6295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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 - 2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole | 2 - 2-(4-chlorophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
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