Molecule

ID:98794

General Information
Structure
MolImage
Molecular Formula
C₁₂H₅F₁₉O
Molecular Mass
526.1371608
Exact Mass
526.00370096
Charge
0
InChI
InChI=1S/C12H5F19O/c13-4(14,1-3-2-32-3)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h3H,1-2H2
InChIKey
ZFJPGQQBBNLQOX-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(C(CC1OC1)(F)F)F
Isomeric Smiles
FC(C(F)(C(C(C(C(CC1CO1)(F)F)(F)F)(F)F)(F)F)F)(F)C(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.581669
LogD (pH = 7.4)
6.581669
Log P
6.581669
Molar Refractivity
58.2337
Polarizability
22.955517
Polar Surface Area
9.23
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
References
Bioactivity
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