Molecule

ID:78024

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c1-2-9-5(7)6(8)3-4-6/h8H,2-4H2,1H3
InChIKey
DPMGQZGXWRHYPE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(O)CC1
Isomeric Smiles
OC1(C(=O)OCC)CC1
Calculated Properties
JChem
Acid pKa
12.612863
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.15581991
LogD (pH = 7.4)
0.15581729
Log P
0.15581994
Molar Refractivity
31.1146
Polarizability
12.506425
Polar Surface Area
46.53
Rotatable Bonds
3
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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