Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

KN2 : Summary

Code

KN2

One-letter code

X

Molecule name

4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL

Systematic names

ProgramVersionName
ACDLabs 10.04 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
OpenEye OEToolkits 1.5.0 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol

Formula

C13 H10 N2 O3

Formal charge

0

Molecular weight

242.23 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c(c1ccc(O)cc1n2)c3ccc(O)cc3O
SMILES CACTVS 3.341 Oc1ccc(c(O)c1)c2n[nH]c3cc(O)ccc23
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1O)[nH]nc2c3ccc(cc3O)O
Canonical SMILES CACTVS 3.341 Oc1ccc(c(O)c1)c2n[nH]c3cc(O)ccc23
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1O)[nH]nc2c3ccc(cc3O)O

IUPAC InChI

InChI=1S/C13H10N2O3/c16-7-1-3-9-11(5-7)14-15-13(9)10-4-2-8(17)6-12(10)18/h1-6,16-18H,(H,14,15)

IUPAC InChI key

WLDZDEMGKFWJNR-UHFFFAOYSA-N
KN2

wwPDB Information

Atom count

28 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-06-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned