Molecule

ID:774

General Information
Structure
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Molecular Formula
C₂H₆O
Molecular Mass
46.06844
Exact Mass
46.04186481
Charge
0
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKey
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Canonic Smiles
CCO
Isomeric Smiles
OCC
Calculated Properties
JChem
LogD (pH = 7.4)
-0.16
LogD (pH = 5.5)
-0.16
Log P
-0.16
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
16.47
Polar Surface Area
20.23
Polarizability
5.30
Molar Refractivity
13.01
LOG S
0.77
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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