Molecule

ID:80201

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
Cn1c(O)nc(cc1=O)Cl
Isomeric Smiles
n1c(n(C)c(=O)cc1Cl)O
Calculated Properties
JChem
Acid pKa
5.2503414
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.41397095
LogD (pH = 7.4)
-1.2776794
Log P
0.8573004
Molar Refractivity
46.2379
Polarizability
13.391332
Polar Surface Area
52.9
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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