Structure Database (LMSD)

Common Name
Cannabinol
Systematic Name
Synonyms
LM ID
LMPK13120002
Status
Active
Exact Mass
Calculate m/z
310.19328
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
Cayman ID

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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