Structure Database (LMSD)
Common Name
Chlorflavonin
Systematic Name
3'-chloro-2',5-dihydroxy-3,7,8-trimethoxyflavone
Synonyms
LM ID
LMPK12113075
Formula
C18H15O7Cl
Exact Mass
Calculate m/z
378.050633
Status
Active
3D model of Chlorflavonin
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)
JLSQXYITDXJTKL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H15ClO7/c1-23-11-7-10(20)12-14(22)18(25-3)15(26-17(12)16(11)24-2)8-5-4-6-9(19)13(8)21/h4-7,20-21H,1-3H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C(O)=C(Cl)C=CC=3)=C(OC)C(=O)C=2C(O)=C1
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
305.80
Topological Polar Surface Area
98.36
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
4.45
Molar Refractivity
96.02
Admin
Created at
-
Updated at
12th Dec 2023