Molecule

ID:80272

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₅
Molecular Mass
300.30594
Exact Mass
300.09977361
Charge
0
InChI
InChI=1S/C17H16O5/c1-21-11-22-13-7-8-14(16(19)9-13)17(20)10-15(18)12-5-3-2-4-6-12/h2-9,19H,10-11H2,1H3
InChIKey
PZXJQFFXJFXQCP-UHFFFAOYSA-N
Canonic Smiles
COCOc1ccc(c(c1)O)C(=O)CC(=O)c1ccccc1
Isomeric Smiles
O=C(c1c(cc(cc1)OCOC)O)CC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
5.011075
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.8191817
LogD (pH = 7.4)
1.1030264
Log P
3.4292498
Molar Refractivity
80.9191
Polarizability
31.219969
Polar Surface Area
72.83
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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