Molecule

ID:32439

General Information
Structure
MolImage
Molecular Formula
C₅H₃IN₂O₃
Molecular Mass
265.99339
Exact Mass
265.91883997
Charge
0
InChI
InChI=1S/C5H3IN2O3/c6-3-1-7-2-4(5(3)9)8(10)11/h1-2H,(H,7,9)
InChIKey
IRCVFNRJFRGRRX-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cncc(c1O)I
Isomeric Smiles
c1(cncc(c1O)[N+](=O)[O-])I
Calculated Properties
JChem
Acid pKa
6.184633
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2420276
LogD (pH = 7.4)
0.25436294
Log P
1.3209367
Molar Refractivity
45.565
Polarizability
17.56144
Polar Surface Area
76.26
Rotatable Bonds
1
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
References
Bioactivity
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