Molecule

ID:90521

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₃
Molecular Mass
144.16838
Exact Mass
144.07864424
Charge
0
InChI
InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
InChIKey
GMEONFUTDYJSNV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCC(=O)C
Isomeric Smiles
O(C(=O)CCC(=O)C)CC
Calculated Properties
JChem
Acid pKa
17.543003
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.43384457
LogD (pH = 7.4)
0.43384457
Log P
0.43384457
Molar Refractivity
36.6058
Polarizability
14.501429
Polar Surface Area
43.37
Rotatable Bonds
5
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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