Molecule

ID:42326

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂O₄
Molecular Mass
266.63728
Exact Mass
266.00943439
Charge
0
InChI
InChI=1S/C11H7ClN2O4/c12-6-2-1-3-7(4-6)14-9(16)5-8(15)10(13-14)11(17)18/h1-5,15H,(H,17,18)
InChIKey
NBKODCRTQQFYJJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)n1nc(C(=O)O)c(cc1=O)O
Isomeric Smiles
n1n(c(=O)cc(c1C(=O)O)O)c1cc(Cl)ccc1
Calculated Properties
JChem
Acid pKa
2.2616718
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.2148951
LogD (pH = 7.4)
-2.7025561
Log P
1.9015514
Molar Refractivity
63.6788
Polarizability
23.663488
Polar Surface Area
90.2
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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