Molecule

ID:107971

General Information
Structure
MolImage
Molecular Formula
C₄H₉LiO
Molecular Mass
80.05466
Exact Mass
80.08134446
Charge
0
InChI
InChI=1S/C4H9O.Li/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1
InChIKey
LTRVAZKHJRYLRJ-UHFFFAOYSA-N
Canonic Smiles
[O-]CCCC.[Li+]
Isomeric Smiles
[Li+].CCCC[O-]
Calculated Properties
JChem
Acid pKa
16.954258
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.80532193
LogD (pH = 7.4)
0.80532193
Log P
0.80532193
Molar Refractivity
32.6852
Polarizability
8.423538
Polar Surface Area
23.06
Rotatable Bonds
2
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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