(E)-1-[4-(difluoromethoxy)phenyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
Formula:C24H17N3O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-(difluoromethoxy)phenyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-(difluoromethoxy)phenyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one |
| MolecularFormula | C24H17N3O2F2 |
| Smiles | O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cnccc1)c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C24H17F2N3O2/c25-24(26)31-21-11-8-17(9-12-21)22(30)13-10-19-16-29(20-6-2-1-3-7-20)28-23(19)18-5-4-14-27-15-18/h1-16,24H |
| InChIK | XSLXPUWBUSQRKF-UHFFFAOYSA-N |
| TotalMolweight | 417.414 |
| Molweight | 417.414 |
| MonoisotopicMass | 417.128883 |
| CLogP | 3.3913 |
| CLogS | -5.18 |
| H Acceptors | 5 |
| TotalSurfaceArea | 318.71 |
| Relative PSA | 0.16269 |
| PolarSurfaceArea | 57.01 |
| Druglikeness | 0.53344 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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