Molecule

ID:9180

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃O₂
Molecular Mass
192.1351896
Exact Mass
192.03981412
Charge
0
InChI
InChI=1S/C8H7F3O2/c1-12-6-3-2-4-7(5-6)13-8(9,10)11/h2-5H,1H3
InChIKey
OKSRAPDSZKICKZ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)OC(F)(F)F
Isomeric Smiles
c1cc(cc(c1)OC)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2466862
LogD (pH = 7.4)
3.2466862
Log P
3.2466862
Molar Refractivity
35.5915
Polarizability
14.840483
Polar Surface Area
18.46
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
No Data Available
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Molecule Details
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References
Bioactivity
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