Molecule

ID:63941

General Information
Structure
MolImage
Molecular Formula
C₅H₉IO
Molecular Mass
212.02883
Exact Mass
211.96981291
Charge
0
InChI
InChI=1S/C5H9IO/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChIKey
JTRNQTFTRDPITG-UHFFFAOYSA-N
Canonic Smiles
IC1CCOCC1
Isomeric Smiles
O1CCC(I)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3091959
LogD (pH = 7.4)
1.3091959
Log P
1.3091959
Molar Refractivity
38.0692
Polarizability
15.068959
Polar Surface Area
9.23
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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