Molecule

ID:87212

General Information
Structure
MolImage
Molecular Formula
C₇H₉IN₂O₂
Molecular Mass
280.06303
Exact Mass
279.97087554
Charge
0
InChI
InChI=1S/C7H9IN2O2/c1-4-5(8)6(11)10(3)7(12)9(4)2/h1-3H3
InChIKey
OGGRCIQVWZBFPS-UHFFFAOYSA-N
Canonic Smiles
Cc1n(C)c(=O)n(c(=O)c1I)C
Isomeric Smiles
n1(c(=O)n(C)c(c(c1=O)I)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7798193
LogD (pH = 7.4)
0.7798193
Log P
0.7798193
Molar Refractivity
54.9308
Polarizability
20.389475
Polar Surface Area
40.62
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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