Molecule

ID:110560

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₃
Molecular Mass
134.17356
Exact Mass
134.09429431
Charge
0
InChI
InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2
InChIKey
ZWVMLYRJXORSEP-UHFFFAOYSA-N
Canonic Smiles
OCCCCC(CO)O
Isomeric Smiles
OCCCCC(O)CO
Calculated Properties
JChem
Acid pKa
14.269095
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.81712294
LogD (pH = 7.4)
-0.817123
Log P
-0.81712294
Molar Refractivity
34.6271
Polarizability
13.6826
Polar Surface Area
60.69
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
References
Bioactivity
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