Structure Database (LMSD)

Common Name
Valproic acid
Systematic Name
2-propylpentanoic acid
Synonyms
LM ID
LMFA01020291
Status
Active
Exact Mass
Calculate m/z
144.11503
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
NIJJYAXOARWZEE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
SMILES (Click to copy)
C(=O)(O)C(CCC)CCC

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 161.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.29
Molar Refractivity 40.94

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Created at
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Updated at
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