Molecule

ID:79459

General Information
Structure
MolImage
Molecular Formula
C₈H₈INO
Molecular Mass
261.05969
Exact Mass
260.96506188
Charge
0
InChI
InChI=1S/C8H8INO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKey
SIULLDWIXYYVCU-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)I
Isomeric Smiles
Ic1ccc(cc1)NC(=O)C
Calculated Properties
JChem
Acid pKa
14.312455
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1399007
LogD (pH = 7.4)
2.1399007
Log P
2.1399007
Molar Refractivity
54.2835
Polarizability
20.394083
Polar Surface Area
29.1
Rotatable Bonds
1
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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