Molecule

ID:8659

General Information
Structure
MolImage
Molecular Formula
C₇H₆INO₃
Molecular Mass
279.03191
Exact Mass
278.93924106
Charge
0
InChI
InChI=1S/C7H6INO3/c1-4-2-5(8)7(10)6(3-4)9(11)12/h2-3,10H,1H3
InChIKey
ZGSKNXKQYFZYAW-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(I)c(c(c1)[N+](=O)[O-])O
Isomeric Smiles
c1c(cc(c(c1I)O)[N+](=O)[O-])C
Calculated Properties
JChem
Acid pKa
5.7601175
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8642147
LogD (pH = 7.4)
1.5576986
Log P
3.0520306
Molar Refractivity
53.7673
Polarizability
20.016308
Polar Surface Area
66.05
Rotatable Bonds
1
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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