Molecule

ID:40732

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FNO₃
Molecular Mass
211.1897032
Exact Mass
211.06447141
Charge
0
InChI
InChI=1S/C10H10FNO3/c1-2-15-10(14)9(13)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,13)
InChIKey
OUBZLXSQKQMFAH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)Nc1ccc(cc1)F
Isomeric Smiles
C(=O)(C(=O)OCC)Nc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
10.871971
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.049286
LogD (pH = 7.4)
2.0491486
Log P
2.0492876
Molar Refractivity
52.45
Polarizability
19.430838
Polar Surface Area
55.4
Rotatable Bonds
4
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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