Molecule

ID:112080

General Information
Structure
MolImage
Molecular Formula
C₆H₆O₂Se
Molecular Mass
189.07064
Exact Mass
189.95330043
Charge
0
InChI
InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
InChIKey
WIHKGDVGLJJAMC-UHFFFAOYSA-N
Canonic Smiles
O[Se](=O)c1ccccc1
Isomeric Smiles
O[Se](=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
12.346115
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8618999
LogD (pH = 7.4)
0.8618951
Log P
0.8619
Molar Refractivity
42.5967
Polarizability
11.555207
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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