Molecule

ID:64873

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂O₂
Molecular Mass
195.00346
Exact Mass
193.96498274
Charge
0
InChI
InChI=1S/C5H4Cl2N2O2/c6-1-2-3(7)4(10)9-5(11)8-2/h1H2,(H2,8,9,10,11)
InChIKey
BXVCXZREYQLVTA-UHFFFAOYSA-N
Canonic Smiles
ClCc1[nH]c(=O)[nH]c(=O)c1Cl
Isomeric Smiles
[nH]1c(=O)[nH]c(c(c1=O)Cl)CCl
Calculated Properties
JChem
Acid pKa
7.7651343
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.31292394
LogD (pH = 7.4)
0.16162305
Log P
0.31524923
Molar Refractivity
41.1744
Polarizability
15.375527
Polar Surface Area
58.2
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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