Molecule

ID:127026

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c1(5-3-8-5)7-2-6-4-9-6/h5-6H,1-4H2
InChIKey
GYZLOYUZLJXAJU-UHFFFAOYSA-N
Canonic Smiles
O(CC1OC1)CC1OC1
Isomeric Smiles
O1CC1COCC1OC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.19291733
LogD (pH = 7.4)
-0.19291733
Log P
-0.19291733
Molar Refractivity
30.5019
Polarizability
12.472633
Polar Surface Area
34.29
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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