Molecule

ID:44339

General Information
Structure
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-13-10(12)6-5-14-8-4-2-3-7(11)9(6)8/h5H,2-4H2,1H3
InChIKey
ZUJPFGJZTCKZGG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1coc2c1C(=O)CCC2
Isomeric Smiles
c1(c2c(oc1)CCCC2=O)C(=O)OC
Calculated Properties
JChem
Acid pKa
14.975636
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1889408
LogD (pH = 7.4)
1.1889408
Log P
1.1889408
Molar Refractivity
48.8969
Polarizability
18.399357
Polar Surface Area
56.51
Rotatable Bonds
2
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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