3-Acetyl-2,5-diamino-1,4-benzoquinone

AlkaPlorer ID: AK283043

Synonym: None

IUPAC Name: 5-acetyl-3-amino-4-hydroxy-6-iminocyclohexa-2,4-dien-1-one

Structure

SMILES: CC(=O)C1=C(O)C(N)=CC(=O)C1=N

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InChI: InChI=1S/C8H8N2O3/c1-3(11)6-7(10)5(12)2-4(9)8(6)13/h2,10,13H,9H2,1H3

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InChIKey: OBFMSPMJYSKYIA-UHFFFAOYSA-N

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Reference

PubChem CID: 136801552

Source

Properties Information

Molecule Weight: 180.163

TPSA: 104.23999999999998

MolLogP: -0.1674299999999999

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information