Molecule

ID:136376

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₄
Molecular Mass
160.16778
Exact Mass
160.07355886
Charge
0
InChI
InChI=1S/C7H12O4/c1-2-10-7(8)5-11-6-3-9-4-6/h6H,2-5H2,1H3
InChIKey
UQWKKGRZXIXMEI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COC1COC1
Isomeric Smiles
CCOC(=O)COC1COC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.05349863
LogD (pH = 7.4)
-0.05349863
Log P
-0.05349863
Molar Refractivity
37.3595
Polarizability
15.146889
Polar Surface Area
44.76
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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