Molecule

ID:135198

General Information
Structure
MolImage
Molecular Formula
C₂H₃IO₂
Molecular Mass
186.94114484
Exact Mass
186.92113217
Charge
0
InChI
InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)/i1+1
InChIKey
JDNTWHVOXJZDSN-OUBTZVSYSA-N
Canonic Smiles
OC(=O)[13CH2]I
Isomeric Smiles
[13CH2](C(=O)O)I
Calculated Properties
JChem
Acid pKa
3.0473845
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6969876
LogD (pH = 7.4)
-2.7464745
Log P
0.7222152
Molar Refractivity
25.7275
Polarizability
10.510372
Polar Surface Area
37.3
Rotatable Bonds
1
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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