Molecule

ID:59975

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆O₆
Molecular Mass
340.32674
Exact Mass
340.09468823
Charge
0
InChI
InChI=1S/C19H16O6/c1-11-16(24-10-17(20)21)8-7-14-15(9-18(22)25-19(11)14)12-3-5-13(23-2)6-4-12/h3-9H,10H2,1-2H3,(H,20,21)
InChIKey
HXRDDBNOBBLTLY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2C)OCC(=O)O
Isomeric Smiles
c12c(c(cc(=O)o1)c1ccc(cc1)OC)ccc(c2C)OCC(=O)O
Calculated Properties
JChem
Acid pKa
3.1500695
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.5685681
LogD (pH = 7.4)
-0.56119955
Log P
2.8926203
Molar Refractivity
99.1535
Polarizability
34.469967
Polar Surface Area
82.06
Rotatable Bonds
5
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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