Molecule
ID:84644
General Information
Molecular Formula
C₅H₄Cl₂N₂O₂
Molecular Mass
195.00346
Exact Mass
193.96498274
Charge
0
InChI
InChI=1S/C5H4Cl2N2O2/c6-3-1-8-9(2-10)5(11)4(3)7/h1,10H,2H2
InChIKey
IUNZCCKUTRMPSF-UHFFFAOYSA-N
Canonic Smiles
OCn1ncc(c(c1=O)Cl)Cl
Isomeric Smiles
n1(c(=O)c(c(Cl)cn1)Cl)CO
Calculated Properties
JChem
Acid pKa
13.467167
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.41227356
LogD (pH = 7.4)
0.4122732
Log P
0.4122736
Molar Refractivity
41.542
Polarizability
15.513267
Polar Surface Area
52.9
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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