Molecule

ID:12108

General Information
Structure
MolImage
Molecular Formula
C₇HF₁₃O₅
Molecular Mass
412.0590816
Exact Mass
411.96163999
Charge
0
InChI
InChI=1S/C7HF13O5/c8-2(9,1(21)22)23-3(10,11)4(12,13)24-5(14,15)6(16,17)25-7(18,19)20/h(H,21,22)
InChIKey
GNQWOKPKDHCUSB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(=O)O)(F)F
Calculated Properties
JChem
Acid pKa
-0.42819902
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.1146984
LogD (pH = 7.4)
2.1129906
Log P
5.6424365
Molar Refractivity
40.7669
Polarizability
17.291597
Polar Surface Area
64.99
Rotatable Bonds
9
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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