Structure Database (LMSD)
Common Name
Cannabinol
Systematic Name
Synonyms
3D model of Cannabinol
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)
VBGLYOIFKLUMQG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
SMILES (Click to copy)
C12C=C(C=CC=1C(OC1C=C(C=C(O)C2=1)CCCCC)(C)C)C
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
3
Aromatic Rings
2
Rotatable Bonds
4
Van der Waals Molecular Volume
314.72
Topological Polar Surface Area
31.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.73
Molar Refractivity
95.16
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Created at
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Updated at
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