Molecule

ID:37693

General Information
Structure
Molecular Formula
C₈H₅F₂NO₃
Molecular Mass
201.1270064
Exact Mass
201.02374947
Charge
0
InChI
InChI=1S/C8H5F2NO3/c9-4-1-2-6(5(10)3-4)11-7(12)8(13)14/h1-3H,(H,11,12)(H,13,14)
InChIKey
QTEWUHURLVWVJF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)NC(=O)C(=O)O
Isomeric Smiles
C(=O)(Nc1c(cc(cc1)F)F)C(=O)O
Calculated Properties
JChem
Acid pKa
1.9107915
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.8087163
LogD (pH = 7.4)
-2.0689456
Log P
1.4559542
Molar Refractivity
43.1487
Polarizability
15.449717
Polar Surface Area
66.4
Rotatable Bonds
2
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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