Molecule

ID:98783

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅F₁₉O
Molecular Mass
514.1264608
Exact Mass
514.00370096
Charge
0
InChI
InChI=1S/C11H5F19O/c12-3(13,1-2-31)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h31H,1-2H2
InChIKey
RRPJMPARBFYNMD-UHFFFAOYSA-N
Canonic Smiles
OCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(F)(C(C(C(C(CCO)(F)F)(F)F)(F)F)(F)F)F)(F)C(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
Acid pKa
15.763865
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
6.0503
LogD (pH = 7.4)
6.0503
Log P
6.0503
Molar Refractivity
55.7813
Polarizability
21.898708
Polar Surface Area
20.23
Rotatable Bonds
10
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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