Molecule

ID:10988

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂O₃
Molecular Mass
236.1991632
Exact Mass
236.05972038
Charge
0
InChI
InChI=1S/C11H9FN2O3/c1-5(15)13-9-7-4-6(12)2-3-8(7)14-10(9)11(16)17/h2-4,14H,1H3,(H,13,15)(H,16,17)
InChIKey
WSYULBACYOKFNI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1c([nH]c2c1cc(F)cc2)C(=O)O
Isomeric Smiles
c1(c(c2c([nH]1)ccc(c2)F)NC(=O)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8331313
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.009801419
LogD (pH = 7.4)
-1.5668404
Log P
1.6800041
Molar Refractivity
59.3576
Polarizability
22.474997
Polar Surface Area
82.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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