[5-[(Z)-1-(4-chlorophenoxy)-2-phenylethenyl]pyrazol-1-yl]-(4-chlorophenyl)methanone
Formula:C24H16N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[5-[(Z)-1-(4-chlorophenoxy)-2-phenylethenyl]pyrazol-1-yl]-(4-chlorophenyl)methanone is not a drug-like molecule.
| MolName | [5-[(Z)-1-(4-chlorophenoxy)-2-phenylethenyl]pyrazol-1-yl]-(4-chlorophenyl)methanone |
| MolecularFormula | C24H16N2O2Cl2 |
| Smiles | O=C(c(cc1)ccc1Cl)n1nccc1/C(/Oc(cc1)ccc1Cl)=C/c1ccccc1 |
| InChI | InChI=1S/C24H16Cl2N2O2/c25-19-8-6-18(7-9-19)24(29)28-22(14-15-27-28)23(16-17-4-2-1-3-5-17)30-21-12-10-20(26)11-13-21/h1-16H |
| InChIK | RTKUDCWDOOXMQO-UHFFFAOYSA-N |
| TotalMolweight | 435.309 |
| Molweight | 435.309 |
| MonoisotopicMass | 434.058882 |
| CLogP | 6.1891 |
| CLogS | -7.497 |
| H Acceptors | 4 |
| TotalSurfaceArea | 323.8 |
| Relative PSA | 0.12625 |
| PolarSurfaceArea | 44.12 |
| Druglikeness | 4.1073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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