Structure Database (LMSD)
Systematic Name
19-Nor-5-androstenediol
Synonyms
LM ID
LMST02010050
Formula
Exact Mass
Calculate m/z
276.20893
Sum Composition
Status
Active
3D model of
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)
VVUQRXPUVKXAIO-XFUVECHXSA-N
InChi (Click to copy)
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,12-17,19-20H,3-10H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC=C3C[C@@H](O)CC[C@]3([H])[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
285.46
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
3.85
Molar Refractivity
80.12
Admin
Created at
-
Updated at
-