Molecule

ID:63967

General Information
Structure
MolImage
Molecular Formula
C₆H₄IN₃O₂
Molecular Mass
277.01933
Exact Mass
276.93482438
Charge
0
InChI
InChI=1S/C6H4IN3O2/c7-3-1-4-5(11)8-6(12)9-10(4)2-3/h1-2H,(H2,8,9,11,12)
InChIKey
GYGXRFJMFYTFIB-UHFFFAOYSA-N
Canonic Smiles
Ic1cn2c(c1)c(=O)[nH]c(=O)[nH]2
Isomeric Smiles
Ic1cc2c(=O)[nH]c(=O)[nH]n2c1
Calculated Properties
JChem
Acid pKa
9.60365
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.82946044
LogD (pH = 7.4)
0.82681644
Log P
0.82949424
Molar Refractivity
51.1885
Polarizability
18.797253
Polar Surface Area
63.13
Rotatable Bonds
0
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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