Molecule

ID:54508

General Information
Structure
MolImage
Molecular Formula
C₈H₈INO
Molecular Mass
261.05969
Exact Mass
260.96506188
Charge
0
InChI
InChI=1S/C8H8INO/c9-8-4-3-7-6(10-8)2-1-5-11-7/h3-4H,1-2,5H2
InChIKey
AMAAXVSESBSGCF-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(n1)CCCO2
Isomeric Smiles
c1(ccc2c(n1)CCCO2)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.91769
LogD (pH = 7.4)
1.9178059
Log P
1.9178073
Molar Refractivity
50.9217
Polarizability
20.137403
Polar Surface Area
22.12
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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