Molecule

ID:59585

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂O₅
Molecular Mass
296.27418
Exact Mass
296.06847348
Charge
0
InChI
InChI=1S/C17H12O5/c18-16(19)10-21-13-7-6-12-8-14(11-4-2-1-3-5-11)17(20)22-15(12)9-13/h1-9H,10H2,(H,18,19)
InChIKey
WNYVZBLBZWILFE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1ccc2c(c1)oc(=O)c(c2)c1ccccc1
Isomeric Smiles
c1(=O)c(cc2c(o1)cc(OCC(=O)O)cc2)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.003615
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.31247872
LogD (pH = 7.4)
-0.7024019
Log P
2.7717595
Molar Refractivity
78.5485
Polarizability
30.242714
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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