Molecule

ID:64874

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂O₂
Molecular Mass
160.5584
Exact Mass
160.00395509
Charge
0
InChI
InChI=1S/C5H5ClN2O2/c1-2-3(6)4(9)8-5(10)7-2/h1H3,(H2,7,8,9,10)
InChIKey
YFTMPDGCVOWZOZ-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]c(=O)[nH]c(=O)c1Cl
Isomeric Smiles
[nH]1c(=O)[nH]c(c(c1=O)Cl)C
Calculated Properties
JChem
Acid pKa
7.3560505
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.001628392
LogD (pH = 7.4)
-0.31054917
Log P
0.00756736
Molar Refractivity
36.5797
Polarizability
13.427387
Polar Surface Area
58.2
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
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Molecule Details
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References
Bioactivity
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