Molecule

ID:103234

General Information
Structure
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Molecular Formula
C₂₃H₁₆O₆
Molecular Mass
388.36954
Exact Mass
388.09468823
Charge
0
InChI
InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
InChIKey
WLJNZVDCPSBLRP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O
Isomeric Smiles
OC(=O)c1c(O)c(Cc2c3ccccc3cc(C(=O)O)c2O)c2ccccc2c1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.95
LogD (pH = 5.5)
0.57
Log P
6.05
Rotatable Bonds
4
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
false
Acid pKa
2.38
Polar Surface Area
115.06
Polarizability
38.82
Molar Refractivity
107.17
LOG S
-6.09
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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