Molecule

ID:101173

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁IO
Molecular Mass
226.05541
Exact Mass
225.98546297
Charge
0
InChI
InChI=1S/C6H11IO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2
InChIKey
MQLFSPBSNWUXSO-UHFFFAOYSA-N
Canonic Smiles
ICC1CCOCC1
Isomeric Smiles
O1CCC(CI)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8735746
LogD (pH = 7.4)
1.8735746
Log P
1.8735746
Molar Refractivity
42.838
Polarizability
16.850353
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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