Molecule

ID:10088

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂O₂
Molecular Mass
160.5584
Exact Mass
160.00395509
Charge
0
InChI
InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10)
InChIKey
SGLXGFAZAARYJY-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(=O)n(c(=O)[nH]1)C
Isomeric Smiles
n1(c(=O)[nH]c(cc1=O)Cl)C
Calculated Properties
JChem
Acid pKa
8.678987
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.037412047
LogD (pH = 7.4)
0.015691973
Log P
0.03769628
Molar Refractivity
45.7162
Polarizability
13.421943
Polar Surface Area
49.41
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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