2-(2,6-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
Formula:C23H18N2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2,6-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 2-(2,6-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole |
| MolecularFormula | C23H18N2Cl2 |
| Smiles | Clc1cccc(Cl)c1N(C(C1)c2ccccc2)N=C1/C=C/c1ccccc1 |
| InChI | InChI=1S/C23H18Cl2N2/c24-20-12-7-13-21(25)23(20)27-22(18-10-5-2-6-11-18)16-19(26-27)15-14-17-8-3-1-4-9-17/h1-15,22H,16H2/t22-/m0/s1 |
| InChIK | AAFRJLOUGVPDRF-QFIPXVFZSA-N |
| TotalMolweight | 393.316 |
| Molweight | 393.316 |
| MonoisotopicMass | 392.084702 |
| CLogP | 6.884 |
| CLogS | -6.167 |
| H Acceptors | 2 |
| TotalSurfaceArea | 296.15 |
| Relative PSA | 0.050853 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 2.8711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-(2,6-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole | 2 - 2-(2,6-dichlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
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