Structure Database (LMSD)
Common Name
Isoflavone skeleton
Systematic Name
Synonyms
LM ID
LMPK12050000
Status
Active
3D model of Isoflavone skeleton
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)
GOMNOOKGLZYEJT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H
SMILES (Click to copy)
C1C=C2OC=C(C3=CC=CC=C3)C(=O)C2=CC=1
References
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
3
Aromatic Rings
3
Rotatable Bonds
1
Van der Waals Molecular Volume
194.74
Topological Polar Surface Area
30.21
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.36
Molar Refractivity
68.03
Admin
Created at
-
Updated at
9th Jun 2022