Molecule

ID:8441

General Information
Structure
Molecular Formula
C₅H₆INO
Molecular Mass
223.01171
Exact Mass
222.94941182
Charge
0
InChI
InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3
InChIKey
NMNOXVWRJISEFE-UHFFFAOYSA-N
Canonic Smiles
Ic1c(C)noc1C
Isomeric Smiles
o1nc(c(c1C)I)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5976516
LogD (pH = 7.4)
1.597667
Log P
1.5976672
Molar Refractivity
40.6037
Polarizability
15.2740965
Polar Surface Area
26.03
Rotatable Bonds
0
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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