Molecule

ID:87348

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₃
Molecular Mass
132.15768
Exact Mass
132.07864424
Charge
0
InChI
InChI=1S/C6H12O3/c1-8-5-3-4-6(7)9-2/h3-5H2,1-2H3
InChIKey
VHDGWXQBVWAMJA-UHFFFAOYSA-N
Canonic Smiles
COCCCC(=O)OC
Isomeric Smiles
O(C(=O)CCCOC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.27410075
LogD (pH = 7.4)
0.27410075
Log P
0.27410075
Molar Refractivity
33.3206
Polarizability
13.281858
Polar Surface Area
35.53
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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