Molecule

ID:12018

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₁₃O₅
Molecular Mass
426.0856616
Exact Mass
425.97729006
Charge
0
InChI
InChI=1S/C8H3F13O5/c1-23-2(22)3(9,10)24-4(11,12)5(13,14)25-6(15,16)7(17,18)26-8(19,20)21/h1H3
InChIKey
USFGKFMVGHXGNG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(OC)C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.7883306
LogD (pH = 7.4)
5.7883306
Log P
5.7883306
Molar Refractivity
45.536
Polarizability
19.040245
Polar Surface Area
53.99
Rotatable Bonds
10
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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