(E)-3-[2-(difluoromethoxy)phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one
Formula:C20H19NO4F2S
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
(E)-3-[2-(difluoromethoxy)phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[2-(difluoromethoxy)phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one |
| MolecularFormula | C20H19NO4F2S |
| Smiles | O=C(/C=C/c(cccc1)c1OC(F)F)c(cc1)ccc1S(N1CCCC1)(=O)=O |
| InChI | InChI=1S/C20H19F2NO4S/c21-20(22)27-19-6-2-1-5-16(19)9-12-18(24)15-7-10-17(11-8-15)28(25,26)23-13-3-4-14-23/h1-2,5-12,20H,3-4,13-14H2 |
| InChIK | MFQZZLBXOJKJCG-UHFFFAOYSA-N |
| TotalMolweight | 407.436 |
| Molweight | 407.436 |
| MonoisotopicMass | 407.100285 |
| CLogP | 3.338 |
| CLogS | -4.287 |
| H Acceptors | 5 |
| TotalSurfaceArea | 292.89 |
| Relative PSA | 0.18836 |
| PolarSurfaceArea | 72.06 |
| Druglikeness | 1.6745 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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