Molecule

ID:8161

General Information
Structure
Molecular Formula
C₇H₅F₃O
Molecular Mass
162.1092096
Exact Mass
162.02924944
Charge
0
InChI
InChI=1S/C7H5F3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2,11H,3H2
InChIKey
DWOWBLURUYIVOU-UHFFFAOYSA-N
Canonic Smiles
OCc1c(F)ccc(c1F)F
Isomeric Smiles
c1cc(c(c(c1F)CO)F)F
Calculated Properties
JChem
Acid pKa
13.879564
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6340019
LogD (pH = 7.4)
1.6340017
Log P
1.6340019
Molar Refractivity
33.5231
Polarizability
12.127056
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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