nitrosobenzene

AlkaPlorer ID: AK183405

Synonym: None

IUPAC Name: nitrosobenzene

Structure

SMILES: O=NC1=CC=CC=C1

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InChI: InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H

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InChIKey: NLRKCXQQSUWLCH-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 107.11199999999997

TPSA: 29.43

MolLogP: 2.0845

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Oryctolagus cuniculus Glyceraldehyde-3-phosphate dehydrogenase Activity nan None 10.1021/jm400057r
Rattus norvegicus Aldehyde dehydrogenase 1A1 IC50 2500.0 nM 10.1021/jm980200+
None No relevant target LogP 2.01 None 10.1021/jm00381a013
None Unchecked Activity nan None 10.1021/jm400057r

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT023798 O=Nc1ccccc1>>ONc1ccccc1 RXN-18437
AKRT023918 O=[N+](O)c1ccccc1>>O=Nc1ccccc1 RXN-18436