Molecule

ID:15268

General Information
Structure
MolImage
Molecular Formula
C₉HF₁₁O
Molecular Mass
334.0860752
Exact Mass
333.98517507
Charge
0
InChI
InChI=1S/C9HF11O/c10-1-2(11)4(13)6(5(14)3(1)12)21-9(19,20)7(15)8(16,17)18/h7H
InChIKey
FTDFREVZBJMTTE-UHFFFAOYSA-N
Canonic Smiles
FC(C(Oc1c(F)c(F)c(c(c1F)F)F)(F)F)C(F)(F)F
Isomeric Smiles
c1(c(c(c(c(c1F)OC(C(C(F)(F)F)F)(F)F)F)F)F)F
Calculated Properties
JChem
Acid pKa
14.949487
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.593076
LogD (pH = 7.4)
4.5930758
Log P
4.593076
Molar Refractivity
43.8888
Polarizability
16.040369
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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