Molecule

ID:97678

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₆O
Molecular Mass
272.1869192
Exact Mass
272.06358426
Charge
0
InChI
InChI=1S/C11H10F6O/c1-6-3-4-7(2)8(5-6)9(18,10(12,13)14)11(15,16)17/h3-5,18H,1-2H3
InChIKey
OQOULCPVNZYDHV-UHFFFAOYSA-N
Canonic Smiles
OC(C(F)(F)F)(C(F)(F)F)c1cc(C)ccc1C
Isomeric Smiles
OC(c1c(ccc(c1)C)C)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
7.4521213
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1216497
LogD (pH = 7.4)
3.851102
Log P
4.126467
Molar Refractivity
53.4163
Polarizability
19.05655
Polar Surface Area
20.23
Rotatable Bonds
3
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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