Structure Database (LMSD)

Common Name
(+)-Comphene
Systematic Name
Synonyms
LM ID
LMPR0102120011
Formula
Exact Mass
Calculate m/z
136.1252
Status
Active

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

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Created at
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Updated at
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