Structure Database (LMSD)
Common Name
Androstrane skeleton
Systematic Name
Synonyms
LM ID
LMST02020000
Status
Active
3D model of Androstrane skeleton
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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]
Other Databases
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
Admin
Created at
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Updated at
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