Molecule

ID:110235

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClO₇
Molecular Mass
338.69664
Exact Mass
338.01933037
Charge
0
InChI
InChI=1S/C15H10O7.ClH/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6;/h1-5H,(H5-,16,17,18,19,20,21);1H
InChIKey
FFNDMZIBVDSQFI-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.[Cl-]
Isomeric Smiles
[Cl-].Oc1cc2[o+]c(c3cc(O)c(O)c(O)c3)c(O)cc2c(O)c1
Calculated Properties
JChem
Acid pKa
5.982811
H Acceptors
7
H Donor
6
LogD (pH = 5.5)
2.6407793
LogD (pH = 7.4)
0.65877336
Log P
2.7659
Molar Refractivity
86.094
Polarizability
30.96035
Polar Surface Area
134.52
Rotatable Bonds
1
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
References
Bioactivity
Navigation
CAS 528-53-0|3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1$l^{4}-chromen-1-ylium chloride|DELPHINIDINE HCl|delphinidin chloride|3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1λ<sup>4</sup>-chromen-1-... | Molfinder