Structure Database (LMSD)
Common Name
Coenzyme Q4
Systematic Name
Synonyms
3D model of Coenzyme Q4
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)
XGCJRRDNIMSYNC-INVBOZNNSA-N
InChi (Click to copy)
InChI=1S/C29H42O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-25-24(6)26(30)28(32-7)29(33-8)27(25)31/h12,14,16,18H,9-11,13,15,17,19H2,1-8H3/b21-14+,22-16+,23-18+
SMILES (Click to copy)
C1(OC)C(=O)C(C)=C(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)C(=O)C=1OC
References
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
511.94
Topological Polar Surface Area
52.60
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
logP
7.49
Molar Refractivity
136.78
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Created at
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Updated at
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