Molecule
ID:10325
General Information
Molecular Formula
C₇H₁₃F₃O
Molecular Mass
170.1727296
Exact Mass
170.0918497
Charge
0
InChI
InChI=1S/C7H13F3O/c1-2-3-4-5-6(11)7(8,9)10/h6,11H,2-5H2,1H3
InChIKey
YFVHSPAONQXAIB-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(C(F)(F)F)O
Isomeric Smiles
CCCCCC(C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
11.408001
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.709322
LogD (pH = 7.4)
2.70928
Log P
2.7093227
Molar Refractivity
36.4572
Polarizability
13.675821
Polar Surface Area
20.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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