Molecule

ID:129788

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₈O₁₂
Molecular Mass
498.39252
Exact Mass
498.07982602
Charge
0
InChI
InChI=1S/C24H18O12/c25-7-1-9(27)17(10(28)2-7)19-13(31)5-15(33)21(23(19)35)22-16(34)6-14(32)20(24(22)36)18-11(29)3-8(26)4-12(18)30/h1-6,25-36H
InChIKey
OZBVFMWAUXWMKV-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)c(c(c1)O)c1c(O)cc(c(c1O)c1c(O)cc(c(c1O)c1c(O)cc(cc1O)O)O)O
Isomeric Smiles
Oc1cc(O)cc(O)c1c1c(O)c(c(O)cc1O)c1c(O)c(c(cc1O)O)c1c(O)cc(O)cc1O
Calculated Properties
JChem
Acid pKa
7.9782705
H Acceptors
12
H Donor
12
LogD (pH = 5.5)
3.270706
LogD (pH = 7.4)
3.1650348
Log P
3.272138
Molar Refractivity
125.2374
Polarizability
50.469215
Polar Surface Area
242.76
Rotatable Bonds
0
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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