Molecule

ID:65050

General Information
Structure
MolImage
Molecular Formula
C₆H₇IN₂O₂
Molecular Mass
266.03645
Exact Mass
265.95522547
Charge
0
InChI
InChI=1S/C6H7IN2O2/c1-8-3-4(7)5(10)9(2)6(8)11/h3H,1-2H3
InChIKey
XUUVRIXNFFFPCM-UHFFFAOYSA-N
Canonic Smiles
O=c1n(C)cc(c(=O)n1C)I
Isomeric Smiles
n1(c(=O)n(cc(c1=O)I)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.57774657
LogD (pH = 7.4)
0.57774657
Log P
0.57774657
Molar Refractivity
49.1117
Polarizability
18.611794
Polar Surface Area
40.62
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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