Molecule

ID:10854

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FNO₃
Molecular Mass
211.1897032
Exact Mass
211.06447141
Charge
0
InChI
InChI=1S/C10H10FNO3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey
RICKYTLEGMVQTI-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)NC(=O)c1ccc(cc1)F
Isomeric Smiles
C(=O)(NC(C(=O)O)C)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.276946
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.96771944
LogD (pH = 7.4)
-2.193875
Log P
1.2370117
Molar Refractivity
50.828
Polarizability
19.007298
Polar Surface Area
66.4
Rotatable Bonds
3
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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