Structure Database (LMSD)

Common Name
Visnagin
Systematic Name
Synonyms
LM ID
LMPK13110003
Status
Active
Exact Mass
Calculate m/z
230.05791
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)
NZVQLVGOZRELTG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C)OC=1C=C1OC=CC1=C2OC

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 183.00
Topological Polar Surface Area 52.58
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 3.76
Molar Refractivity 63.65

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Created at
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Updated at
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