Molecule

ID:42963

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClIN₂O
Molecular Mass
270.45553
Exact Mass
269.90568844
Charge
0
InChI
InChI=1S/C5H4ClIN2O/c1-2-8-4(6)3(7)5(10)9-2/h1H3,(H,8,9,10)
InChIKey
SIDORYUWTWQBMA-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(O)c(c(n1)Cl)I
Isomeric Smiles
c1(c(nc(nc1O)C)Cl)I
Calculated Properties
JChem
Acid pKa
10.366987
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6452246
LogD (pH = 7.4)
2.6447752
Log P
2.6452305
Molar Refractivity
48.8697
Polarizability
18.435537
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
No Data Available
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Molecule Details
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References
Bioactivity
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