Structure Database (LMSD)

Common Name
5-O-Methylvisamminol
Systematic Name
Synonyms
LM ID
LMPK13110002
Status
Active
Exact Mass
Calculate m/z
290.115425
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)
DGFLRNOCLJGHLY-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1
SMILES (Click to copy)
C12C(=O)C=C(C)OC=1C=C1O[C@H](C(O)(C)C)CC1=C2OC

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 257.23
Topological Polar Surface Area 70.97
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.66
Molar Refractivity 79.32

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Created at
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Updated at
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