Molecule

ID:83509

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O₇
Molecular Mass
302.32028
Exact Mass
302.13655304
Charge
0
InChI
InChI=1S/C14H22O7/c1-5-18-12(15)8-11(14(17)20-7-3)9-21-10(4)13(16)19-6-2/h9-10H,5-8H2,1-4H3
InChIKey
VVPIGYHYRZAICA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C/C(=C\OC(C(=O)OCC)C)/C(=O)OCC
Isomeric Smiles
O(/C=C(/C(=O)OCC)\CC(=O)OCC)C(C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3634266
LogD (pH = 7.4)
1.3634266
Log P
1.3634266
Molar Refractivity
73.7754
Polarizability
29.392296
Polar Surface Area
88.13
Rotatable Bonds
12
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
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References
Bioactivity
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