Molecule

ID:59977

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₅
Molecular Mass
276.28454
Exact Mass
276.09977361
Charge
0
InChI
InChI=1S/C15H16O5/c1-4-10-7-13(16)20-14-8(2)12(6-5-11(10)14)19-9(3)15(17)18/h5-7,9H,4H2,1-3H3,(H,17,18)
InChIKey
GKIDOGLXPUDROJ-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)O)C
Isomeric Smiles
c12c(c(cc(=O)o2)CC)ccc(c1C)OC(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.315321
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7615148
LogD (pH = 7.4)
-0.49299002
Log P
2.9298205
Molar Refractivity
72.5145
Polarizability
27.898993
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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