Molecule

ID:90217

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₄
Molecular Mass
148.15708
Exact Mass
148.07355886
Charge
0
InChI
InChI=1S/C6H12O4/c1-8-5(7)4-6(9-2)10-3/h6H,4H2,1-3H3
InChIKey
SMCVPMKCDDNUCQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(OC)OC
Isomeric Smiles
O(C)C(=O)CC(OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.2643421
LogD (pH = 7.4)
0.2643421
Log P
0.2643421
Molar Refractivity
34.3467
Polarizability
14.031475
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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