Molecule

ID:100431

General Information
Structure
MolImage
Molecular Formula
C₁₅H₇F₁₇O
Molecular Mass
526.1883344
Exact Mass
526.02254458
Charge
0
InChI
InChI=1S/C15H7F17O/c1-6-3-2-4-7(5-6)33-15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h2-5H,1H3
InChIKey
LRDCUNHVBPESFH-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)OC(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
FC(C(C(C(C(C(C(C(Oc1cccc(c1)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.336087
LogD (pH = 7.4)
8.336087
Log P
8.336087
Molar Refractivity
71.5856
Polarizability
26.692509
Polar Surface Area
9.23
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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