Structure Database (LMSD)

Common Name
Onitin
Systematic Name
Synonyms
LM ID
LMPR0103610001
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)
GCMUHPCLXBXQDH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H22O2/c1-9-11(5-6-16)10(2)14(17)13-8-15(3,4)7-12(9)13/h16-17H,5-8H2,1-4H3
SMILES (Click to copy)
C1(C)=C(O)C2CC(C)(C)CC=2C(C)=C1CCO

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 2
Aromatic Rings 1
Rotatable Bonds 2
Van der Waals Molecular Volume 242.10
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 2.95
Molar Refractivity 70.05

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Created at
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Updated at
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