5-(3,4-dichlorophenyl)-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4,5-dihydro-1H-pyrazole
Formula:C17H12N2Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(3,4-dichlorophenyl)-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4,5-dihydro-1H-pyrazole is not a drug-like molecule.
| MolName | 5-(3,4-dichlorophenyl)-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4,5-dihydro-1H-pyrazole |
| MolecularFormula | C17H12N2Cl4 |
| Smiles | Clc(ccc(C(C1)NN=C1/C=C/c(cc1)cc(Cl)c1Cl)c1)c1Cl |
| InChI | InChI=1S/C17H12Cl4N2/c18-13-5-2-10(7-15(13)20)1-4-12-9-17(23-22-12)11-3-6-14(19)16(21)8-11/h1-8,17,23H,9H2/t17-/m1/s1 |
| InChIK | LDTHMOSQURLCDY-QGZVFWFLSA-N |
| TotalMolweight | 386.108 |
| Molweight | 386.108 |
| MonoisotopicMass | 383.975456 |
| CLogP | 6.128 |
| CLogS | -6.929 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 268.39 |
| Relative PSA | 0.085584 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 1.9649 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon | racemate |
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1 - 5-(3,4-dichlorophenyl)-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4,5-dihydro-1H-pyrazole | 2 - 5-(3,4-dichlorophenyl)-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4,5-dihydro-1H-pyrazole
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