Molecule

ID:61768

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₃
Molecular Mass
118.1311
Exact Mass
118.06299418
Charge
0
InChI
InChI=1S/C5H10O3/c1-6-5(7-2)3-8-4-5/h3-4H2,1-2H3
InChIKey
OXBBCZDEGXLJCJ-UHFFFAOYSA-N
Canonic Smiles
COC1(OC)COC1
Isomeric Smiles
C1C(CO1)(OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.4192585
LogD (pH = 7.4)
0.4192585
Log P
0.4192585
Molar Refractivity
27.9757
Polarizability
11.3569
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
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References
Bioactivity
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