Molecule

ID:43031

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₈O₆
Molecular Mass
390.38542
Exact Mass
390.1103383
Charge
0
InChI
InChI=1S/C23H18O6/c1-15(24)27-19-13-16(22(25)26-2)14-20-21(19)29-23(28-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKey
OLFOKCRUFHKNNA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2OC(Oc2c(c1)OC(=O)C)(c1ccccc1)c1ccccc1
Isomeric Smiles
C1(Oc2c(O1)cc(C(=O)OC)cc2OC(=O)C)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.1062474
LogD (pH = 7.4)
5.1062474
Log P
5.1062474
Molar Refractivity
104.2435
Polarizability
40.81526
Polar Surface Area
71.06
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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