Molecule

ID:52752

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c7-4-6(1-2-6)3-5(8)9/h7H,1-4H2,(H,8,9)
InChIKey
OVMNWDIMDCLADX-UHFFFAOYSA-N
Canonic Smiles
OCC1(CC1)CC(=O)O
Isomeric Smiles
C1CC1(CC(=O)O)CO
Calculated Properties
JChem
Acid pKa
4.426604
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.3427613
LogD (pH = 7.4)
-3.1030242
Log P
-0.23567204
Molar Refractivity
30.8678
Polarizability
12.270841
Polar Surface Area
57.53
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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