Pelubiprofen
2-[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acid
Molecular Identity
Pelubiprofen
2-[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acid
PubChem CID: 5282203
2D Structure
Properties
C16H18O3
Molecular Formula
258.31
Molecular Weight
g/mol
258.1256
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
54.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
375
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Pelubiprofen69956-77-0RS-21312-OcmppCS-670PelubiprofenePelubiprofeno2-[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acidDTXSID20487951619C79FVJ2-(4-{[(1E)-2-oxocyclohexylidene]methyl}phenyl)propanoic acidDTXCID20287212-(4-((2-Oxocyclohexylidene)methyl)phenyl)propionic acidpelubiprofenum2-(4-(((1E)-2-oxocyclohexylidene)methyl)phenyl)propanoic acid
Data from PubChem (NCBI)
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