Structure Database (LMSD)

Common Name
Androstrane skeleton
Systematic Name
Synonyms
LM ID
LMST02020000
Status
Active


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)
QZLYKIGBANMMBK-FZFXZXLVSA-N
InChi (Click to copy)
InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14?,15-,16-,17-,18-,19-/m0/s1
SMILES (Click to copy)
[C@]12(CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)CCC[C@@]21[H])[H]

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 287.82
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.81
Molar Refractivity 80.96

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Created at
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Updated at
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