Molecule

ID:89975

General Information
Structure
MolImage
Molecular Formula
C₈H₉IO
Molecular Mass
248.06093
Exact Mass
247.96981291
Charge
0
InChI
InChI=1S/C8H9IO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3
InChIKey
RFAXNKKOQUYDKE-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(I)c(cc1O)C
Isomeric Smiles
Ic1cc(c(cc1C)O)C
Calculated Properties
JChem
Acid pKa
9.571636
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.625431
LogD (pH = 7.4)
3.6225684
Log P
3.6254678
Molar Refractivity
51.4838
Polarizability
19.61178
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
No Data Available
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Molecule Details
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References
Bioactivity
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