Molecule

ID:97390

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅F₃O
Molecular Mass
184.1993096
Exact Mass
184.10749976
Charge
0
InChI
InChI=1S/C8H15F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h7,12H,2-6H2,1H3
InChIKey
INAIBHXNHIEDAM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(C(F)(F)F)O
Isomeric Smiles
FC(C(CCCCCC)O)(F)F
Calculated Properties
JChem
Acid pKa
11.408001
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1538906
LogD (pH = 7.4)
3.1538486
Log P
3.1538913
Molar Refractivity
41.0582
Polarizability
15.4624405
Polar Surface Area
20.23
Rotatable Bonds
6
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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