Molecule

ID:6665

General Information
Structure
MolImage
Molecular Formula
C₁₃H₃F₂₃O₅
Molecular Mass
676.1231936
Exact Mass
675.96132226
Charge
0
InChI
InChI=1S/C13H3F23O5/c1-38-2(37)3(14,7(19,20)21)39-12(33,34)5(17,9(25,26)27)41-13(35,36)6(18,10(28,29)30)40-11(31,32)4(15,16)8(22,23)24/h1H3
InChIKey
POFXNOHVAKKASZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)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
Isomeric Smiles
O=C(C(OC(C(OC(C(OC(C(C(F)(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)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
8.91554
LogD (pH = 7.4)
8.91554
Log P
8.91554
Molar Refractivity
73.5369
Polarizability
28.606129
Polar Surface Area
53.99
Rotatable Bonds
15
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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