Structure Database (LMSD)
Common Name
Propan-1-ol
Systematic Name
Propan-1-ol
Synonyms
3D model of Propan-1-ol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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References
Comments
Pherobase
String Representations
InChiKey (Click to copy)
BDERNNFJNOPAEC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
SMILES (Click to copy)
OCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
4
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
69.25
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
0.67
Molar Refractivity
17.87
Admin
Created at
-
Updated at
25th Apr 2022