Molecule

ID:8759

General Information
Structure
MolImage
Molecular Formula
C₇H₆INO₃
Molecular Mass
279.03191
Exact Mass
278.93924106
Charge
0
InChI
InChI=1S/C7H6INO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
InChIKey
RBFWMPRFYROKPI-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1I)[N+](=O)[O-]
Isomeric Smiles
Ic1ccc(cc1OC)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6845033
LogD (pH = 7.4)
2.6845033
Log P
2.6845033
Molar Refractivity
52.2042
Polarizability
20.141556
Polar Surface Area
52.37
Rotatable Bonds
2
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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