Molecule

ID:8174

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₃O
Molecular Mass
162.1092096
Exact Mass
162.02924944
Charge
0
InChI
InChI=1S/C7H5F3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3H2
InChIKey
IAYKYKBQMLBYAI-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(F)cc(c1F)F
Isomeric Smiles
c1(cc(c(c(c1)CO)F)F)F
Calculated Properties
JChem
Acid pKa
14.205852
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
12.127204
Polar Surface Area
20.23
Rotatable Bonds
1
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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