Structure Database (LMSD)
Common Name
Cyanidin
Systematic Name
Synonyms
3D model of Cyanidin
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)
VEVZSMAEJFVWIL-UHFFFAOYSA-O
InChi (Click to copy)
InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
SMILES (Click to copy)
C1(O)C=C2[O+]=C(C3=CC=C(O)C(O)=C3)C(O)=CC2=C(O)C=1
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
231.22
Topological Polar Surface Area
112.45
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
6
logP
2.91
Molar Refractivity
74.38
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Created at
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Updated at
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