Molecule

(3-Chloro-4-hydroxyphenyl)acetic acid; Amide

AlkaPlorer ID: AK097862

Synonym: (3-Chloro-4-hydroxyphenyl)acetamide

IUPAC Name: 2-(3-chloro-4-hydroxyphenyl)acetamide

SMILES: N=C(O)CC1=CC=C(O)C(Cl)=C1

InChI: InChI=1S/C8H8ClNO2/c9-6-3-5(4-8(10)12)1-2-7(6)11/h1-3,11H,4H2,(H2,10,12)

InChIKey: ORFVLZDPZCEXSD-UHFFFAOYSA-N

PubChem CID: 15038375

LOTUS: LTS0231304

SuperNatural Ⅲ: SN0273148

COCONUT: CNP0313048

{

NPAtlas: NPA019761

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Xylaria sp.	Xylaria	Xylariaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Molecule Weight: 185.61

TPSA？: 64.31

MolLogP？: 2.1233699999999995

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Carbonic anhydrase	Ki	1000.0	nM	10.1021/jm1013242
Cryptococcus neoformans var. grubii	Carbonic anhydrase 2	Ki	850.0	nM	10.1021/jm1013242
Homo sapiens	Carbonic anhydrase I	Ki	237000.0	nM	10.1021/jm1013242
Homo sapiens	Carbonic anhydrase I	Kinact	237.0	uM	10.1016/j.bmc.2009.11.021
Homo sapiens	Carbonic anhydrase II	Ki	131000.0	nM	10.1021/jm1013242
Homo sapiens	Carbonic anhydrase II	Kinact	131.0	uM	10.1016/j.bmc.2009.11.021
Homo sapiens	Carbonic anhydrase VA	Kinact	110.0	nM	10.1016/j.bmc.2009.11.021
Homo sapiens	Carbonic anhydrase VB	Kinact	106.0	nM	10.1016/j.bmc.2009.11.021
Mycobacterium tuberculosis	PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	Ki	11200.0	nM	10.1021/jm1013242
Mycobacterium tuberculosis	Uncharacterized protein Rv1284/MT1322	Ki	10500.0	nM	10.1021/jm1013242
None	Unchecked	Ratio Ki	11.7	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	12.5	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	21.2	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	22.6	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	131.0	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	154.1	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	237.0	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	278.8	None	10.1021/jm1013242
None	Unchecked	Selectivity ratio	120.0	None	10.1016/j.bmc.2009.11.021