Structure Database (LMSD)

Common Name
(+)-Comphene
Systematic Name
Synonyms
LM ID
LMPR0102120011
Status
Active
Exact Mass
Calculate m/z
136.1252
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)
CRPUJAZIXJMDBK-DTWKUNHWSA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
SMILES (Click to copy)
[C@H]12CC[C@H](C(=C)C1(C)C)C2

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 154.20
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.00
Molar Refractivity 43.75

Admin

Created at
-
Updated at
-