Molecule

ID:53187

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c7-6(8)3-5-1-2-9-4-5/h5H,1-4H2,(H,7,8)
InChIKey
JSWKBJIKVSXWDJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1COCC1
Isomeric Smiles
C1OCC(C1)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.430453
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0839078
LogD (pH = 7.4)
-2.8446946
Log P
0.019646628
Molar Refractivity
31.2915
Polarizability
12.337922
Polar Surface Area
46.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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