Molecule

ID:9205

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₃O₂
Molecular Mass
190.1193096
Exact Mass
190.02416406
Charge
0
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-5H
InChIKey
CPHXLFKIUVVIOQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OC(F)(F)F
Isomeric Smiles
c1ccc(c(c1)C=O)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1168597
LogD (pH = 7.4)
3.1168597
Log P
3.1168597
Molar Refractivity
35.7123
Polarizability
14.258462
Polar Surface Area
26.3
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
References
Bioactivity
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