Molecule

ID:32436

General Information
Structure
MolImage
Molecular Formula
C₅H₃IN₂O₃
Molecular Mass
265.99339
Exact Mass
265.91883997
Charge
0
InChI
InChI=1S/C5H3IN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2H,(H,7,9)
InChIKey
DPHDSYLWPVMRTM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnc(c(c1)I)O
Isomeric Smiles
c1(cnc(c(c1)I)O)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
7.8713474
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.9135808
LogD (pH = 7.4)
1.7913405
Log P
1.9153943
Molar Refractivity
45.8785
Polarizability
17.5642
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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