Structure Database (LMSD)

Common Name
Isoflavone skeleton
Systematic Name
Synonyms
LM ID
LMPK12050000
Status
Active

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

Other Databases

KEGG ID
CHEBI ID
PubChem CID
Cayman ID

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