Structure Database (LMSD)
Common Name
Flavan skeleton
Systematic Name
Synonyms
LM ID
LMPK12020000
Status
Active
3D model of Flavan skeleton
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
QOLIPNRNLBQTAU-HNNXBMFYSA-N
InChi (Click to copy)
InChI=1S/C15H14O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2/t15-/m0/s1
SMILES (Click to copy)
C1C=C2O[C@H](C3=CC=CC=C3)CCC2=CC=1
References
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
3
Aromatic Rings
2
Rotatable Bonds
1
Van der Waals Molecular Volume
202.13
Topological Polar Surface Area
11.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
3.75
Molar Refractivity
64.57
Admin
Created at
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Updated at
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