Molecule

ID:8760

General Information
Structure
MolImage
Molecular Formula
C₇H₆INO₃
Molecular Mass
279.03191
Exact Mass
278.93924106
Charge
0
InChI
InChI=1S/C7H6INO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKey
JWZODIRSJJQOKY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)[N+](=O)[O-])I
Isomeric Smiles
c1c(c(cc(c1)OC)[N+](=O)[O-])I
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
20.140854
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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