Molecule

ID:99141

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃F₃₇O₅
Molecular Mass
1026.1757384
Exact Mass
1025.93896734
Charge
0
InChI
InChI=1S/C20H3F37O5/c1-2-3(21,22)5(25,11(33,34)35)58-17(50,51)7(27,13(39,40)41)60-19(54,55)9(29,15(45,46)47)62-20(56,57)8(28,14(42,43)44)61-18(52,53)6(26,12(36,37)38)59-16(48,49)4(23,24)10(30,31)32/h2H,1H2
InChIKey
IUBNXGBFRLNANO-UHFFFAOYSA-N
Canonic Smiles
C=CC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F
Isomeric Smiles
O(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)C(C(OC(C(OC(C(OC(C(F)(F)F)(C(C=C)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
15.192523
LogD (pH = 7.4)
15.192523
Log P
15.192523
Molar Refractivity
109.9943
Polarizability
42.273556
Polar Surface Area
46.15
Rotatable Bonds
23
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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