Molecule

ID:59753

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₅
Molecular Mass
274.26866
Exact Mass
274.08412355
Charge
0
InChI
InChI=1S/C15H14O5/c1-8-5-11(19-7-13(16)17)14-9-3-2-4-10(9)15(18)20-12(14)6-8/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKey
VCEAHEMKSWXOSU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1cc(C)cc2c1c1CCCc1c(=O)o2
Isomeric Smiles
c12c3c(oc(=O)c1CCC2)cc(cc3OCC(=O)O)C
Calculated Properties
JChem
Acid pKa
3.4166372
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.22122468
LogD (pH = 7.4)
-1.105769
Log P
2.292881
Molar Refractivity
70.5755
Polarizability
27.183992
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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