Molecule

ID:76891

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)
InChIKey
IAWVHZJZHDSEOC-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)C(=O)O
Isomeric Smiles
OC(=O)C(=O)C(C)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
-1.51
LogD (pH = 5.5)
-0.12
Log P
1.87
Rotatable Bonds
2
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.51
Polar Surface Area
54.37
Polarizability
12.91
Molar Refractivity
31.69
LOG S
-0.98
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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