2K4

1H-INDAZOL-6-OL

Created:	2011-03-25
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where 2K4 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	10

2D diagram of 2K4

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1H-INDAZOL-6-OL
Systematic Name (OpenEye OEToolkits)	1H-indazol-6-ol
Formula	C₇ H₆ N₂ O
Molecular Weight	134.135
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.03	InChI=1S/C7H6N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h1-4,10H,(H,8,9)
InChIKey	InChI	1.03	NUYZVDBIVNOTSC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135483987

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.