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Chemical structure of 1,4-Naphthoquinone

GC39469

1,4-Naphthoquinone

Also known as naphthalene-1,4-dione

1,4-Naphthoquinone is a potential pharmacophore for inhibition of both MAO (monoamine oxidase) and DNA topoisomerase activities, this latter associated with antitumor activity

ChemicalCAS130-15-4MW158.16FormulaC10H6O2
CAS number
130-15-4
Molecular weight
158.16
Formula
C10H6O2
Solubility
Soluble in DMSO
InChIKey
FRASJONUBLZVQX-UHFFFAOYSA-N
Catalogue number
GC39469
Brand
GLPBIO
Computed properties PubChem CID 8530 · XLogP 1.7 · TPSA 34.1 Ų · H-bond donors 0
XLogP
1.7
TPSA
34.1 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

SMILES C1=CC=C2C(=O)C=CC(=O)C2=C1

Computed descriptors from PubChem (CID 8530), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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