Structure Database (LMSD)
Common Name
Allylestrenol
Systematic Name
19-norpregn-4-ene-20-yn-17β-ol
Synonyms
3D model of Allylestrenol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ATXHVCQZZJYMCF-XUDSTZEESA-N
InChi (Click to copy)
InChI=1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1
SMILES (Click to copy)
C1CC=C2CC[C@@]3([H])[C@]4([H])CC[C@](CC=C)(O)[C@@]4(C)CC[C@]3([H])[C@]2(C1)[H]
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
325.93
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
5.54
Molar Refractivity
91.98
Admin
Created at
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Updated at
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