Molecule

ID:59857

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂O₅
Molecular Mass
296.27418
Exact Mass
296.06847348
Charge
0
InChI
InChI=1S/C17H12O5/c18-16(19)10-21-12-6-7-13-14(11-4-2-1-3-5-11)9-17(20)22-15(13)8-12/h1-9H,10H2,(H,18,19)
InChIKey
QOBLMSXUHNMBDB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
Isomeric Smiles
c1(c2c(oc(=O)c1)cc(OCC(=O)O)cc2)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.0109396
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.08427453
LogD (pH = 7.4)
-0.93640876
Log P
2.5368702
Molar Refractivity
87.6491
Polarizability
30.171024
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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