Molecule

ID:10337

General Information
Structure
Molecular Formula
C₁₁H₅F₁₇O
Molecular Mass
476.1296544
Exact Mass
476.00689452
Charge
0
InChI
InChI=1S/C11H5F17O/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2,29H,3H2/b2-1+
InChIKey
SZUDACTYWYPFLY-OWOJBTEDSA-N
Canonic Smiles
OC/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
Isomeric Smiles
C(C(C(C(C(C(C(C(/C=C/CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
15.609708
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.8682337
LogD (pH = 7.4)
5.8682337
Log P
5.8682337
Molar Refractivity
56.706
Polarizability
21.318836
Polar Surface Area
20.23
Rotatable Bonds
9
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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