Molecule

ID:42956

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂O
Molecular Mass
179.00406
Exact Mass
177.97006812
Charge
0
InChI
InChI=1S/C5H4Cl2N2O/c1-2-8-4(7)3(6)5(10)9-2/h1H3,(H,8,9,10)
InChIKey
KUQPBCZFPWRAHB-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(O)c(c(n1)Cl)Cl
Isomeric Smiles
c1(c(nc(nc1O)C)Cl)Cl
Calculated Properties
JChem
Acid pKa
10.187637
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3234143
LogD (pH = 7.4)
2.3227348
Log P
2.3234234
Molar Refractivity
40.312
Polarizability
14.980112
Polar Surface Area
46.01
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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