Molecule

ID:119759

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₅
Molecular Mass
262.25796
Exact Mass
262.08412355
Charge
0
InChI
InChI=1S/C14H14O5/c1-7-4-10(15)13-8(2)9(6-12(16)18-3)14(17)19-11(13)5-7/h4-5,15H,6H2,1-3H3
InChIKey
LTALDERGPAZTDC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1c(=O)oc2c(c1C)c(O)cc(c2)C
Isomeric Smiles
c1(c(c(=O)oc2c1c(cc(c2)C)O)CC(=O)OC)C
Calculated Properties
JChem
Acid pKa
7.66012
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9554076
LogD (pH = 7.4)
1.769753
Log P
1.9583818
Molar Refractivity
68.2453
Polarizability
26.243336
Polar Surface Area
72.83
Rotatable Bonds
3
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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