Structure Database (LMSD)
Common Name
(+)-Catechin
Systematic Name
Synonyms
3D model of (+)-Catechin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
PFTAWBLQPZVEMU-DZGCQCFKSA-N
InChi (Click to copy)
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3=CC=C(O)C(O)=C3)[C@@H](O)CC2=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
2
Rotatable Bonds
1
Van der Waals Molecular Volume
246.08
Topological Polar Surface Area
112.45
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
6
logP
1.83
Molar Refractivity
73.14
Admin
Created at
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Updated at
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