Molecule

ID:44319

General Information
Structure
MolImage
Molecular Formula
C₉H₉IO₂
Molecular Mass
276.07103
Exact Mass
275.96472753
Charge
0
InChI
InChI=1S/C9H9IO2/c10-7-2-3-8-9(6-7)12-5-1-4-11-8/h2-3,6H,1,4-5H2
InChIKey
CIZHAPZOOAJDCN-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(c1)OCCCO2
Isomeric Smiles
c12cc(ccc1OCCCO2)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4752827
LogD (pH = 7.4)
2.4752827
Log P
2.4752827
Molar Refractivity
55.2433
Polarizability
21.68673
Polar Surface Area
18.46
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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