Molecule

ID:129810

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₈O₁₂
Molecular Mass
498.39252
Exact Mass
498.07982602
Charge
0
InChI
InChI=1S/C24H18O12/c25-10-1-11(26)3-13(2-10)34-23-18(30)8-15(9-19(23)31)36-24-20(32)6-14(7-21(24)33)35-22-16(28)4-12(27)5-17(22)29/h1-9,25-33H
InChIKey
YOFARVUPGKULPN-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)c(c(c1)O)Oc1cc(O)c(c(c1)O)Oc1cc(O)c(c(c1)O)Oc1cc(O)cc(c1)O
Isomeric Smiles
c1c(O)cc(O)cc1Oc1c(O)cc(cc1O)Oc1c(O)cc(cc1O)Oc1c(O)cc(O)cc1O
Calculated Properties
JChem
Acid pKa
5.815683
H Acceptors
9
H Donor
9
LogD (pH = 5.5)
3.5559824
LogD (pH = 7.4)
0.9544376
Log P
3.7420194
Molar Refractivity
122.6085
Polarizability
46.95521
Polar Surface Area
209.76
Rotatable Bonds
6
Lipinski's Rule of Five
false
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
References
Bioactivity
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