Molecule

ID:69720

General Information
Structure
MolImage
Molecular Formula
C₅H₉IO₂
Molecular Mass
228.02823
Exact Mass
227.96472753
Charge
0
InChI
InChI=1S/C5H9IO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
InChIKey
KZTNQOAFISZIEI-UHFFFAOYSA-N
Canonic Smiles
ICCC(=O)OCC
Isomeric Smiles
C(=O)(CCI)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6694858
LogD (pH = 7.4)
1.6694858
Log P
1.6694858
Molar Refractivity
39.8462
Polarizability
15.958899
Polar Surface Area
26.3
Rotatable Bonds
4
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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