Structure Database (LMSD)

Common Name
(-)-Usnic acid
Systematic Name
Synonyms
LM ID
LMPK13060002
Status
Active
Exact Mass
Calculate m/z
344.089605
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)
WEYVVCKOOFYHRW-GOSISDBHSA-N
InChi (Click to copy)
InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m1/s1
SMILES (Click to copy)
[C@@]12(C)C(=O)C(=C(O)C=C1OC1C(C(=O)C)=C(C(C)=C(O)C2=1)O)C(=O)C

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 1
Rotatable Bonds 2
Van der Waals Molecular Volume 312.39
Topological Polar Surface Area 123.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 2.13
Molar Refractivity 85.92

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Created at
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Updated at
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