Molecule

ID:127365

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆O₇
Molecular Mass
344.31544
Exact Mass
344.08960285
Charge
0
InChI
InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3
InChIKey
DRRWBCNQOKKKOL-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)c1cc(=O)c2c(o1)cc(c(c2O)OC)O
Isomeric Smiles
O=c1c2c(O)c(OC)c(O)cc2oc(c1)c1ccc(OC)c(OC)c1
Calculated Properties
JChem
Acid pKa
7.1012526
H Acceptors
7
H Donor
2
LogD (pH = 5.5)
2.5265782
LogD (pH = 7.4)
2.053767
Log P
2.5372407
Molar Refractivity
90.3226
Polarizability
34.098778
Polar Surface Area
94.45
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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