Molecule

ID:69781

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂O₃
Molecular Mass
120.14698
Exact Mass
120.07864424
Charge
0
InChI
InChI=1S/C5H12O3/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3
InChIKey
ZESKRVSPQJVIMH-UHFFFAOYSA-N
Canonic Smiles
COCC(COC)O
Isomeric Smiles
C(C(COC)O)OC
Calculated Properties
JChem
Acid pKa
13.682158
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.552761
LogD (pH = 7.4)
-0.55276126
Log P
-0.552761
Molar Refractivity
30.0185
Polarizability
11.994462
Polar Surface Area
38.69
Rotatable Bonds
4
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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