Molecule

ID:21698

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₄
Molecular Mass
146.1412
Exact Mass
146.0579088
Charge
0
InChI
InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)
InChIKey
LOLKAJARZKDJTD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCC(=O)O
Isomeric Smiles
C(=O)(CCC(=O)OCC)O
Calculated Properties
JChem
Acid pKa
4.2112637
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2038121
LogD (pH = 7.4)
-2.9215417
Log P
0.10421904
Molar Refractivity
33.0547
Polarizability
13.200509
Polar Surface Area
63.6
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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