Structure Database (LMSD)
Common Name
5-O-Methylvisamminol
Systematic Name
Synonyms
3D model of 5-O-Methylvisamminol
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)
DGFLRNOCLJGHLY-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1
SMILES (Click to copy)
C12C(=O)C=C(C)OC=1C=C1O[C@H](C(O)(C)C)CC1=C2OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
3
Aromatic Rings
2
Rotatable Bonds
2
Van der Waals Molecular Volume
257.23
Topological Polar Surface Area
70.97
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
3.66
Molar Refractivity
79.32
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Created at
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Updated at
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