Structure Database (LMSD)
Common Name
Pelargonidin
Systematic Name
Synonyms
3D model of Pelargonidin
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)
XVFMGWDSJLBXDZ-UHFFFAOYSA-O
InChi (Click to copy)
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1
SMILES (Click to copy)
C1(O)C=C2[O+]=C(C3=CC=C(O)C=C3)C(O)=CC2=C(O)C=1
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
3
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
222.43
Topological Polar Surface Area
92.22
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
3.20
Molar Refractivity
72.72
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Created at
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Updated at
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