Molecule

ID:44141

General Information
Structure
MolImage
Molecular Formula
C₅H₉IO
Molecular Mass
212.02883
Exact Mass
211.96981291
Charge
0
InChI
InChI=1S/C5H9IO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
InChIKey
UAYNHSVKPDQASH-UHFFFAOYSA-N
Canonic Smiles
ICC1(C)COC1
Isomeric Smiles
C1(COC1)(CI)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6742531
LogD (pH = 7.4)
1.6742531
Log P
1.6742531
Molar Refractivity
37.7261
Polarizability
15.066798
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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