Structure Database (LMSD)
Systematic Name
3-hydroxy-estra-1,3,5(10),7tetraen-17-one
Synonyms
LM ID
LMST02010026
Status
Active
Exact Mass
Calculate m/z
268.14633
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WKRLQDKEXYKHJB-HFTRVMKXSA-N
InChi (Click to copy)
InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1
SMILES (Click to copy)
C1C2[C@@]3([H])CC[C@]4(C)C(=O)CC[C@@]4([H])C3=CCC=2C=C(O)C=1
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
4
Aromatic Rings
1
Rotatable Bonds
0
Van der Waals Molecular Volume
264.00
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.74
Molar Refractivity
77.71
Admin
Created at
-
Updated at
-