Molecule

ID:90405

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₃
Molecular Mass
134.17356
Exact Mass
134.09429431
Charge
0
InChI
InChI=1S/C6H14O3/c1-2-3-9-5-6(8)4-7/h6-8H,2-5H2,1H3
InChIKey
ZTKZJXGLCCVMLJ-UHFFFAOYSA-N
Canonic Smiles
CCCOCC(CO)O
Isomeric Smiles
O(CC(CO)O)CCC
Calculated Properties
JChem
Acid pKa
13.641532
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.31655717
LogD (pH = 7.4)
-0.3165574
Log P
-0.31655717
Molar Refractivity
34.5399
Polarizability
13.751487
Polar Surface Area
49.69
Rotatable Bonds
5
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
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References
Bioactivity
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