Molecule

ID:87124

General Information
Structure
Molecular Formula
C₁₀H₁₆O₅
Molecular Mass
216.23104
Exact Mass
216.09977361
Charge
0
InChI
InChI=1S/C10H16O5/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h6-8,11H,3-5H2,1-2H3
InChIKey
RYFNDYHIFMQLDW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCCC(C1O)C(=O)OC
Isomeric Smiles
O=C(C1C(C(C(=O)OC)CCC1)O)OC
Calculated Properties
JChem
Acid pKa
14.178066
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.32978553
LogD (pH = 7.4)
0.32978544
Log P
0.32978553
Molar Refractivity
50.9855
Polarizability
20.688139
Polar Surface Area
72.83
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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