Molecule

ID:32432

General Information
Structure
MolImage
Molecular Formula
C₅H₄INO
Molecular Mass
220.99583
Exact Mass
220.93376175
Charge
0
InChI
InChI=1S/C5H4INO/c6-5-4(8)2-1-3-7-5/h1-3,8H
InChIKey
HJBGMPCMSWJZNH-UHFFFAOYSA-N
Canonic Smiles
Oc1cccnc1I
Isomeric Smiles
c1cnc(c(c1)O)I
Calculated Properties
JChem
Acid pKa
7.5428686
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.40962
LogD (pH = 7.4)
1.1846373
Log P
1.4135401
Molar Refractivity
38.9526
Polarizability
15.462336
Polar Surface Area
33.12
Rotatable Bonds
0
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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