ZINC02174151 Properties Computed from Structure:Molecular Weight380.345903 [g/mol]Molecular FormulaC21H15FNO5-H-Bond Donor0H-Bond Acceptor6Rotatable Bond Count4Exact Mass380.093426MonoIsotopic Mass380.093426Topological Polar Surface Area86.7Heavy Atom Count28Formal Charge-1Complexity707Isotope Atom Count0Defin...
Its ADME profile indicates a high molecular weight (539.52 g/mol) and some CYP enzyme inhibition, similar to C107, but also a moderate bioavailability score (0.55), albeit with some challenges related to metabolism. Conclusion The study provides important insights into the molecular interactions ...
insightful because the physicochemical properties of molecular weight, pKavalues, partition coefficients, and/or topological polar surface area can explain some of the functional differences between two given anti-arrhythmic drugs43,44,45,46, but they fail to be predictive in categorizing the Vaughan-...
Selective elimination of low‐molecular‐weight ions in MALDI‐TOF mass spectrometry using a bipolar pulsed electrostatic particle guideC-13 NMR1)J(C,HMETHYL 3,4-DISUBSTITUTED BENZOATESThis study addresses a problem inherent in the use of microchannel plates as detectors for matrix-assisted laser ...
In polymer production, devolatilization is an important unit operation that separates low molecular weight components from the polymer system. The presence of volatile matter not only reduces the quality of the product, but may also cause harm to users and the environment. The Henry’s coefficient ...
Molecular weight(≤500 g/mol) 275.41 g/mol Yes Number of HB acceptors (≤10) 5 Yes Number of HB donors (≤5) 4 Yes Lipophilicity Log P (≤5) 0.91 Yes Molar refractivity (40–130) 74.15 Yes ADMET property analysis result shows MCMH has been non-ames toxic and non-carcinogenic. Human...
Properties Computed from Structure:Molecular Weight410.4662 [g/mol]Molecular FormulaC21H20N3O4S-H-Bond Donor1H-Bond Acceptor5Rotatable Bond Count4Tautomer Count3Exact Mass410.117452MonoIsotopic Mass410.117452Topological Polar Surface Area102Heavy Atom Count29Formal Charge-1Complexity669Isotope Atom Count0Define...
摘要:ZINC02208585,,, :Molecular Weight283.27872 [g/mol]Molecular FormulaC16H13NO4XLogP3H-Bond Donor1H-Bond Acceptor4Rotatable Bond Count3Tautomer Count2Exact Mass283.084458MonoIsotopic Mass283.084458Topological Polar Surface Area64.6Heavy Atom Count21Fo...
such as methyl benzoate, methyl bromobenzoate, ethyl benzoate, ethyl chlorobenzoate, ethyl bromobenzoate, butyl benzoate, isobutyl benzoate, hexyl benzoate, and cyclohexyl benzoate, are preferred. Other preferable esters include ethyl p-anisate and methyl p-toluate. An especially preferred aromatic ester...
Coating compositions containing aqueous dispersion of higher molecular weight epoxy resin are produced by advancing the molecular weight of an aqueous dispersion of a low molecular weight epoxy resin