Molecule

ID:59612

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₅
Molecular Mass
276.28454
Exact Mass
276.09977361
Charge
0
InChI
InChI=1S/C15H16O5/c1-7-5-11(19-10(4)14(16)17)13-8(2)9(3)15(18)20-12(13)6-7/h5-6,10H,1-4H3,(H,16,17)
InChIKey
KAZIEQWMUFVXSZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OC(C(=O)O)C)c2c(c1)oc(=O)c(c2C)C
Isomeric Smiles
c1(c2c(oc(=O)c1C)cc(cc2OC(C(=O)O)C)C)C
Calculated Properties
JChem
Acid pKa
3.4852207
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.87492347
LogD (pH = 7.4)
-0.49894434
Log P
2.8808024
Molar Refractivity
72.2706
Polarizability
27.898935
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
No Data Available
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Molecule Details
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References
Bioactivity
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