Molecule

ID:75848

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂O₂
Molecular Mass
160.5584
Exact Mass
160.00395509
Charge
0
InChI
InChI=1S/C5H5ClN2O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,1H2,(H2,7,8,9,10)
InChIKey
UCDUBKRXOPMNGH-UHFFFAOYSA-N
Canonic Smiles
ClCc1c[nH]c(=O)[nH]c1=O
Isomeric Smiles
[nH]1cc(c(=O)[nH]c1=O)CCl
Calculated Properties
JChem
Acid pKa
9.102812
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.38602695
LogD (pH = 7.4)
-0.39434683
Log P
-0.3859198
Molar Refractivity
35.1521
Polarizability
13.408651
Polar Surface Area
58.2
Rotatable Bonds
1
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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