Molecule

ID:7393

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇F₁₇O₂
Molecular Mass
494.1449344
Exact Mass
494.0174592
Charge
0
InChI
InChI=1S/C11H7F17O2/c12-4(13,1-3(30)2-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3,29-30H,1-2H2
InChIKey
CGRIOEGIXRPCJU-UHFFFAOYSA-N
Canonic Smiles
OCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Isomeric Smiles
C(C(C(C(C(C(C(C(CC(CO)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
14.1243105
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.980986
LogD (pH = 7.4)
4.980986
Log P
4.980986
Molar Refractivity
56.8017
Polarizability
22.351606
Polar Surface Area
40.46
Rotatable Bonds
10
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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