Molecule

2,4-dichloro-1-(4-nitrophenoxy)benzene

AlkaPlorer ID: AK569619

Synonym: None

IUPAC Name: 2,4-dichloro-1-(4-nitrophenoxy)benzene

SMILES: O=[N+]([O-])C1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1

InChI: InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H

InChIKey: XITQUSLLOSKDTB-UHFFFAOYSA-N

PubChem CID: 15787

CAS: 135-12-6

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 284.098

TPSA？: 52.370000000000005

MolLogP？: 4.693900000000002

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Arabidopsis thaliana	Protoporphyrinogen oxidase 1, chloroplastic	IC50	630.96	nM	10.1584/jpestics.27.9
Chlorella salina	Chlorella salina	IC50	316.23	nM	10.1584/jpestics.27.9
Chlorella salina	Chlorella salina	IC50	2511.89	nM	10.1584/jpestics.27.9
Gossypium hirsutum	Gossypium hirsutum	Activity	10.0	%	10.1584/jpestics.27.9
Gossypium hirsutum	Gossypium hirsutum	Activity	nan	None	10.1584/jpestics.27.9
Gossypium hirsutum	Gossypium hirsutum	IC50	3162.28	nM	10.1584/jpestics.27.9
Homo sapiens	Androgen Receptor	Potency	19952.6	nM	None
Homo sapiens	Bile acid receptor FXR	Potency	17782.8	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	48557.7	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	61130.6	nM	None
Homo sapiens	Retinoid X receptor alpha	Potency	1258.9	nM	None
Mus musculus	Mus musculus	pTD50	3.203	None	10.1016/j.ejmech.2009.02.014
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	16.29	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.11	%	10.6019/CHEMBL4495565
None	Molecular identity unknown	Potency	28183.8	nM	None