Molecule

ID:124233

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇F₂NO₃
Molecular Mass
239.1749864
Exact Mass
239.03939953
Charge
0
InChI
InChI=1S/C11H7F2NO3/c1-14-4-7(11(16)17)10(15)6-2-5(12)3-8(13)9(6)14/h2-4H,1H3,(H,16,17)
InChIKey
STUPHRLIADPRPQ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c2c(c1)c(=O)c(cn2C)C(=O)O
Isomeric Smiles
c1(c(=O)c2c(n(c1)C)c(cc(c2)F)F)C(=O)O
Calculated Properties
JChem
Acid pKa
5.526817
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3708014
LogD (pH = 7.4)
-0.21097219
Log P
1.6585093
Molar Refractivity
55.7606
Polarizability
19.875998
Polar Surface Area
57.61
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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