Structure Database (LMSD)

Common Name
Curmadione
Systematic Name
Synonyms
LM ID
LMPR0103390001
Status
Active
Exact Mass
Calculate m/z
234.16198
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)
JXBMAOPQNNTXPM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H22O2/c1-5-13(16)9-12-6-7-14(10(2)3)15(17)8-11(12)4/h6,11H,5,7-9H2,1-4H3
SMILES (Click to copy)
C1(CC(=O)CC)C(C)CC(=O)/C(=C(\C)/C)/CC=1

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 1
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 262.72
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.62
Molar Refractivity 69.78

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Created at
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Updated at
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