Molecule
ID:124168
General Information
Molecular Formula
C₁₁H₇F₂NO₃
Molecular Mass
239.1749864
Exact Mass
239.03939953
Charge
0
InChI
InChI=1S/C11H7F2NO3/c12-6-3-7-9(15)1-2-14(5-10(16)17)11(7)8(13)4-6/h1-4H,5H2,(H,16,17)
InChIKey
BJLVRLSDLDWAIT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1ccc(=O)c2c1c(F)cc(c2)F
Isomeric Smiles
n1(c2c(c(=O)cc1)cc(cc2F)F)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.3789012
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.5584862
LogD (pH = 7.4)
-1.858903
Log P
1.5492495
Molar Refractivity
55.7709
Polarizability
19.877056
Polar Surface Area
57.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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