Structure Database (LMSD)

Common Name
Batatasin IV
Systematic Name
Synonyms
LM ID
LMPK13090032
Status
Active
Exact Mass
Calculate m/z
244.109945
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)
IUMFLNFLJUUODE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3
SMILES (Click to copy)
C1=C(OC)C=C(CCC2=C(O)C=CC=C2)C=C1O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 232.07
Topological Polar Surface Area 49.69
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 2.89
Molar Refractivity 70.17

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Created at
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Updated at
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