2-(2-chlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
Formula:C23H19N2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-chlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 2-(2-chlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole |
| MolecularFormula | C23H19N2Cl |
| Smiles | Clc(cccc1)c1N(C(C1)c2ccccc2)N=C1/C=C/c1ccccc1 |
| InChI | InChI=1S/C23H19ClN2/c24-21-13-7-8-14-22(21)26-23(19-11-5-2-6-12-19)17-20(25-26)16-15-18-9-3-1-4-10-18/h1-16,23H,17H2/t23-/m0/s1 |
| InChIK | PBYIHVVLKHOOHO-QHCPKHFHSA-N |
| TotalMolweight | 358.871 |
| Molweight | 358.871 |
| MonoisotopicMass | 358.123675 |
| CLogP | 6.278 |
| CLogS | -5.431 |
| H Acceptors | 2 |
| TotalSurfaceArea | 280.73 |
| Relative PSA | 0.053646 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 2.8711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-(2-chlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole | 2 - 2-(2-chlorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
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