Molecule

ID:136603

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
136.09772903
Exact Mass
136.08312321
Charge
0
InChI
InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
WYVAMUWZEOHJOQ-IDEBNGHGSA-N
Canonic Smiles
[13CH3][13CH2][13C](=O)O[13C](=O)[13CH2][13CH3]
Isomeric Smiles
[13CH3][13CH2][13C](=O)O[13C](=O)[13CH2][13CH3]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0885522
LogD (pH = 7.4)
1.0885522
Log P
1.0885522
Molar Refractivity
31.3358
Polarizability
12.67607
Polar Surface Area
43.37
Rotatable Bonds
4
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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