Molecule

ID:74290

General Information
Structure
MolImage
Molecular Formula
C₈H₉IO
Molecular Mass
248.06093
Exact Mass
247.96981291
Charge
0
InChI
InChI=1S/C8H9IO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey
HUUNIMCCAGNBDF-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(C)c(c(c1)C)O
Isomeric Smiles
Ic1cc(c(c(c1)C)O)C
Calculated Properties
JChem
Acid pKa
9.827999
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6254475
LogD (pH = 7.4)
3.6238582
Log P
3.6254678
Molar Refractivity
51.4838
Polarizability
19.611296
Polar Surface Area
20.23
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
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Molecule Details
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References
Bioactivity
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