Molecule

ID:89421

General Information
Structure
MolImage
Molecular Formula
C₈H₇IO₃
Molecular Mass
278.04385
Exact Mass
277.94399208
Charge
0
InChI
InChI=1S/C8H7IO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChIKey
FBBCSYADXYILEH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)cc(c1O)I
Isomeric Smiles
O=Cc1cc(c(c(c1)I)O)OC
Calculated Properties
JChem
Acid pKa
6.762868
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1305685
LogD (pH = 7.4)
1.4415966
Log P
2.153456
Molar Refractivity
54.4486
Polarizability
20.698889
Polar Surface Area
46.53
Rotatable Bonds
2
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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