Molecule

ID:9156

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃O₂
Molecular Mass
192.1351896
Exact Mass
192.03981412
Charge
0
InChI
InChI=1S/C8H7F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
InChIKey
XRGSSROOYSFMMS-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)OC(F)(F)F
Isomeric Smiles
c1cc(cc(c1)CO)OC(F)(F)F
Calculated Properties
JChem
Acid pKa
14.894828
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6370077
LogD (pH = 7.4)
2.6370077
Log P
2.6370077
Molar Refractivity
35.9442
Polarizability
14.78681
Polar Surface Area
29.46
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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