Molecule

ID:12170

General Information
Structure
MolImage
Molecular Formula
C₅H₇F₃O₂
Molecular Mass
156.1030896
Exact Mass
156.03981412
Charge
0
InChI
InChI=1S/C5H7F3O2/c6-5(7,8)3-1-2-4(9)10/h1-3H2,(H,9,10)
InChIKey
RUEXKRNFAABHHU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC(F)(F)F
Isomeric Smiles
C(=O)(CCCC(F)(F)F)O
Calculated Properties
JChem
Acid pKa
3.699436
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.24286263
LogD (pH = 7.4)
-1.7492115
Log P
1.556489
Molar Refractivity
27.2559
Polarizability
10.251803
Polar Surface Area
37.3
Rotatable Bonds
4
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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