Molecule

ID:10332

General Information
Structure
MolImage
Molecular Formula
C₁₄H₅F₂₃O₂
Molecular Mass
642.1515736
Exact Mass
641.99222846
Charge
0
InChI
InChI=1S/C14H5F23O2/c1-2-39-3(38)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)37/h2H2,1H3
InChIKey
UQZFWRDNDBASDI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(C(C(C(C(C(C(C(C(=O)OCC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.418112
LogD (pH = 7.4)
8.418112
Log P
8.418112
Molar Refractivity
69.8516
Polarizability
27.678375
Polar Surface Area
26.3
Rotatable Bonds
13
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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