Molecule

ID:8432

General Information
Structure
Molecular Formula
C₈H₃FO₃
Molecular Mass
166.1060232
Exact Mass
166.00662218
Charge
0
InChI
InChI=1S/C8H3FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H
InChIKey
WWJAZKZLSDRAIV-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)c2c1c(F)ccc2
Isomeric Smiles
O=C1OC(=O)c2c1cccc2F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5652856
LogD (pH = 7.4)
1.5652856
Log P
1.5652856
Molar Refractivity
37.5814
Polarizability
13.902299
Polar Surface Area
43.37
Rotatable Bonds
0
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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