Molecule

ID:107506

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c1-7-5-3-4-6(8-2)9-5/h3-6H,1-2H3
InChIKey
WXFWXFIWDGJRSC-UHFFFAOYSA-N
Canonic Smiles
COC1C=CC(O1)OC
Isomeric Smiles
COC1OC(OC)C=C1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0380453
LogD (pH = 7.4)
1.0380453
Log P
1.0380453
Molar Refractivity
32.9243
Polarizability
12.929244
Polar Surface Area
27.69
Rotatable Bonds
2
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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