Chemical Components in the PDB

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2K4 : Summary

Code

2K4

One-letter code

X

Molecule name

1H-INDAZOL-6-OL

Systematic names

ProgramVersionName
ACDLabs 12.01 1H-indazol-6-ol
OpenEye OEToolkits 1.7.0 1H-indazol-6-ol

Formula

C7 H6 N2 O

Formal charge

0

Molecular weight

134.135 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2cc1ccc(O)cc1n2
SMILES CACTVS 3.370 Oc1ccc2cn[nH]c2c1
SMILES OpenEye OEToolkits 1.7.0 c1cc2cn[nH]c2cc1O
Canonical SMILES CACTVS 3.370 Oc1ccc2cn[nH]c2c1
Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc2cn[nH]c2cc1O

IUPAC InChI

InChI=1S/C7H6N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h1-4,10H,(H,8,9)

IUPAC InChI key

NUYZVDBIVNOTSC-UHFFFAOYSA-N
2K4

wwPDB Information

Atom count

16 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-03-25

Last modified at

2011-06-10

Status

Released

Obsoleted

Not Assigned