Structure Database (LMSD)
Common Name
Peonidin
Systematic Name
Synonyms
3D model of Peonidin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
XFDQJKDGGOEYPI-UHFFFAOYSA-O
InChi (Click to copy)
InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7H,1H3,(H3-,17,18,19,20)/p+1
SMILES (Click to copy)
C1(O)C=C2[O+]=C(C3=CC=C(O)C(OC)=C3)C(O)=CC2=C(O)C=1
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
3
Aromatic Rings
3
Rotatable Bonds
2
Van der Waals Molecular Volume
248.52
Topological Polar Surface Area
101.45
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
3.21
Molar Refractivity
79.27
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Created at
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Updated at
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