Structure Database (LMSD)
Common Name
Flavan skeleton
Systematic Name
Synonyms
LM ID
LMPK12020000
Status
Curated
3D model of Flavan skeleton
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)
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
Other Databases
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
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Created at
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Updated at
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