Molecule

Dichloroacetic acid; Amide

AlkaPlorer ID: AK057279

Synonym: Dichloroacetamide

IUPAC Name: 2,2-dichloroacetamide

SMILES: NC(=O)C(Cl)Cl

InChI: InChI=1S/C2H3Cl2NO/c3-1(4)2(5)6/h1H,(H2,5,6)

InChIKey: WCGGWVOVFQNRRS-UHFFFAOYSA-N

PubChem CID: 12694

CAS: 10543-95-0

LOTUS: LTS0123871

SuperNatural Ⅲ: SN0406417

NPASS: NPC193043

COCONUT: CNP0195800

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ilex buxifolia	Ilex	Aquifoliaceae	Aquifoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Radulomyces confluens	Radulomyces	Radulomycetaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Elaeodendron croceum	Elaeodendron	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Marginisporum	Corallinaceae	Corallinales	Florideophyceae	Rhodophyta	None	Eukaryota
Terminalia ivorensis	Terminalia	Combretaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 127.958

TPSA？: 43.09

MolLogP？: 0.2754

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Equus caballus	Alcohol dehydrogenase	Ki	6456542.29	nM	10.1021/jm00155a005
Homo sapiens	Epoxide hydrolase 1	Inhibition	23.0	%	10.1016/j.ejmech.2020.112206
None	No relevant target	LogP	-0.03	None	10.1021/jm00155a005