Structure Database (LMSD)
Common Name
Dalbergin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Dalbergin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
AZELSOYQOIUPBZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O4/c1-19-15-9-14-12(7-13(15)17)11(8-16(18)20-14)10-5-3-2-4-6-10/h2-9,17H,1H3
SMILES (Click to copy)
C12C=C(OC)C(O)=CC=1C(C1C=CC=CC=1)=CC(=O)O2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
3
Aromatic Rings
3
Rotatable Bonds
2
Van der Waals Molecular Volume
229.62
Topological Polar Surface Area
59.67
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
4.07
Molar Refractivity
76.24
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Created at
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Updated at
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