Molecule

ID:94906

General Information
Structure
MolImage
Molecular Formula
C₁₂HF₂₅O₄
Molecular Mass
684.09402
Exact Mass
683.94756401
Charge
0
InChI
InChI=1S/C12F24O4.FH/c13-1(5(17,18)19)9(29,30)38-3(15,7(23,24)25)11(33,34)40-4(16,8(26,27)28)12(35,36)39-2(14,6(20,21)22)10(31,32)37-1;/h;1H
InChIKey
SLEHBJOMTZGQPN-UHFFFAOYSA-N
Canonic Smiles
FC(C1(F)OC(F)(F)C(F)(OC(F)(F)C(OC(C(OC1(F)F)(F)C(F)(F)F)(F)F)(F)C(F)(F)F)C(F)(F)F)(F)F.F
Isomeric Smiles
O1C(C(OC(C(OC(C(OC(C1(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F.F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
9.546693
LogD (pH = 7.4)
9.546693
Log P
9.546693
Molar Refractivity
67.2612
Polarizability
26.332163
Polar Surface Area
36.92
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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