(E)-3-[4-(3-fluoropropoxy)phenyl]-1-[3-[4-(3-fluoropropoxy)phenyl]pyrazol-1-yl]prop-2-en-1-one
Formula:C24H24N2O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(3-fluoropropoxy)phenyl]-1-[3-[4-(3-fluoropropoxy)phenyl]pyrazol-1-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[4-(3-fluoropropoxy)phenyl]-1-[3-[4-(3-fluoropropoxy)phenyl]pyrazol-1-yl]prop-2-en-1-one |
| MolecularFormula | C24H24N2O3F2 |
| Smiles | O=C(/C=C/c(cc1)ccc1OCCCF)n(cc1)nc1-c(cc1)ccc1OCCCF |
| InChI | InChI=1S/C24H24F2N2O3/c25-14-1-17-30-21-8-3-19(4-9-21)5-12-24(29)28-16-13-23(27-28)20-6-10-22(11-7-20)31-18-2-15-26/h3-13,16H,1-2,14-15,17-18H2 |
| InChIK | UQZQASPTDMYICK-UHFFFAOYSA-N |
| TotalMolweight | 426.462 |
| Molweight | 426.462 |
| MonoisotopicMass | 426.175499 |
| CLogP | 4.4045 |
| CLogS | -5.447 |
| H Acceptors | 5 |
| TotalSurfaceArea | 340.25 |
| Relative PSA | 0.14954 |
| PolarSurfaceArea | 53.35 |
| Druglikeness | -0.084414 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.77419 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 12 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-3-[4-(3-fluoropropoxy)phenyl]-1-[3-[4-(3-fluoropropoxy)phenyl]pyrazol-1-yl]prop-2-en-1-one | 2 - (E)-3-[4-(3-fluoropropoxy)phenyl]-1-[3-[4-(3-fluoropropoxy)phenyl]pyrazol-1-yl]prop-2-en-1-one
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