Molecule

ID:78335

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂O₂
Molecular Mass
160.5584
Exact Mass
160.00395509
Charge
0
InChI
InChI=1S/C5H5ClN2O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10)
InChIKey
VCFXBAPEXBTNEA-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)[nH]c(=O)[nH]1
Isomeric Smiles
[nH]1c(=O)[nH]c(=O)cc1CCl
Calculated Properties
JChem
Acid pKa
9.459306
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.34558356
LogD (pH = 7.4)
-0.34926537
Log P
-0.3455364
Molar Refractivity
36.3831
Polarizability
13.40887
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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