Molecule

ID:70609

General Information
Structure
MolImage
Molecular Formula
C₇H₄INO₄
Molecular Mass
293.01543
Exact Mass
292.91850561
Charge
0
InChI
InChI=1S/C7H4INO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChIKey
DNMTZLCNLAIKQC-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1I)C(=O)O
Isomeric Smiles
C(=O)(c1cc(c(cc1)I)[N+](=O)[O-])O
Calculated Properties
JChem
Acid pKa
3.4438994
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.45421875
LogD (pH = 7.4)
-0.89163667
Log P
2.4997573
Molar Refractivity
52.9972
Polarizability
20.13369
Polar Surface Area
80.44
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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