Molecule

ID:102538

General Information
Structure
MolImage
Molecular Formula
C₄H₃IN₂O₂
Molecular Mass
237.98329
Exact Mass
237.92392535
Charge
0
InChI
InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey
KSNXJLQDQOIRIP-UHFFFAOYSA-N
Canonic Smiles
Oc1ncc(c(n1)O)I
Isomeric Smiles
Oc1ncc(I)c(O)n1
Calculated Properties
JChem
Acid pKa
10.955634
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.6447914
LogD (pH = 7.4)
1.6446738
Log P
1.6447928
Molar Refractivity
40.3061
Polarizability
15.387768
Polar Surface Area
66.24
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
References
Bioactivity
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