Molecule

ID:9271

General Information
Structure
Molecular Formula
C₁₀H₁₁F₃O
Molecular Mass
204.1889496
Exact Mass
204.07619963
Charge
0
InChI
InChI=1S/C10H11F3O/c1-9(2,14)7-3-5-8(6-4-7)10(11,12)13/h3-6,14H,1-2H3
InChIKey
MKBAAKBUZIREBE-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)C(F)(F)F)(O)C
Isomeric Smiles
c1c(ccc(c1)C(C)(C)O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
14.568848
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7808962
LogD (pH = 7.4)
2.7808962
Log P
2.7808962
Molar Refractivity
47.9046
Polarizability
17.582413
Polar Surface Area
20.23
Rotatable Bonds
2
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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