Molecule

ID:12109

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₁₃O₄
Molecular Mass
398.0755616
Exact Mass
397.98237544
Charge
0
InChI
InChI=1S/C7H3F13O4/c8-2(9,1-21)22-3(10,11)4(12,13)23-5(14,15)6(16,17)24-7(18,19)20/h21H,1H2
InChIKey
PGUFRYZQAPBGDW-UHFFFAOYSA-N
Canonic Smiles
OCC(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)(CO)(F)F
Calculated Properties
JChem
Acid pKa
11.924599
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
5.1699724
LogD (pH = 7.4)
5.1699595
Log P
5.169973
Molar Refractivity
40.8244
Polarizability
17.079159
Polar Surface Area
47.92
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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