Molecule

ID:76461

General Information
Structure
MolImage
Molecular Formula
C₇H₆INO₃
Molecular Mass
279.03191
Exact Mass
278.93924106
Charge
0
InChI
InChI=1S/C7H6INO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChIKey
NLTAHTYBZZSCIT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)I)[N+](=O)[O-]
Isomeric Smiles
O(c1cc(c(cc1)[N+](=O)[O-])I)C
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
53.2084
Polarizability
20.140606
Polar Surface Area
55.05
Rotatable Bonds
2
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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