Structure Database (LMSD)
Common Name
Zearalenone
Systematic Name
Synonyms
3D model of Zearalenone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
MBMQEIFVQACCCH-QBODLPLBSA-N
InChi (Click to copy)
InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1
SMILES (Click to copy)
C12C=CCCCC(CCC[C@H](C)OC(=O)C1=C(O)C=C(O)C=2)=O
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
2
Aromatic Rings
1
Rotatable Bonds
0
Van der Waals Molecular Volume
312.45
Topological Polar Surface Area
85.90
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
logP
3.87
Molar Refractivity
86.90
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Created at
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Updated at
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