Nebicapone
1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone
Molecular Identity
Nebicapone
1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone
PubChem CID: 9838389
2D Structure
Properties
C14H11NO5
Molecular Formula
273.24
Molecular Weight
g/mol
273.0637
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
103
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
361
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]Isomeric SMILES
SMILES: C1=CC=C(C=C1)CC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]Synonyms(20)
Nebicapone274925-86-9BIA 3-2021-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethanone1-(3,4-Dihydroxy-5-nitrophenyl)-2-phenylethan-1-oneNM2KXJ990TnebicaponaDTXSID30181912nebicaponumRefChem:164945DTXCID70104403Nebicapone [INN]UNII-NM2KXJ990TEthanone, 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenyl-CHEMBL160038
Data from PubChem (NCBI)
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