Molecule

ID:86939

General Information
Structure
MolImage
Molecular Formula
C₉H₉IO₃
Molecular Mass
292.07043
Exact Mass
291.95964215
Charge
0
InChI
InChI=1S/C9H9IO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3
InChIKey
GHNGBFHLUOJHKP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)I)OC
Isomeric Smiles
O=C(c1ccc(c(c1)I)OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.747996
LogD (pH = 7.4)
2.747996
Log P
2.747996
Molar Refractivity
57.909
Polarizability
22.56023
Polar Surface Area
35.53
Rotatable Bonds
3
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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