Structure Database (LMSD)
Common Name
4-Hydroxytestosterone
Systematic Name
Synonyms
LM ID
LMST02020102
Formula
Exact Mass
Calculate m/z
304.203845
Sum Composition
Status
Curated
3D model of 4-Hydroxytestosterone
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)
BQOIJSIMMIDHMO-FBPKJDBXSA-N
InChi (Click to copy)
InChI=1S/C19H28O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,16,21-22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CCC3=C(O)C(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
308.91
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.05
Molar Refractivity
84.80
Admin
Created at
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Updated at
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