LZ1
1H-indazole
Created: | 2008-05-13 |
Last modified: | 2011-06-04 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 15 |
Chiral Atom Count | 0 |
Bond Count | 16 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
---|---|
Name | 1H-indazole |
Systematic Name (OpenEye OEToolkits) | 1H-indazole |
Formula | C7 H6 N2 |
Molecular Weight | 118.136 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2cc1ccccc1n2 |
SMILES | CACTVS | 3.341 | [nH]1ncc2ccccc12 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cn[nH]2 |
Canonical SMILES | CACTVS | 3.341 | [nH]1ncc2ccccc12 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cn[nH]2 |
InChI | InChI | 1.03 | InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9) |
InChIKey | InChI | 1.03 | BAXOFTOLAUCFNW-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 9221 |
ChEMBL | CHEMBL86795 |
ChEBI | CHEBI:36669, CHEBI:36670 |
CCDC/CSD | INDAZL02, INDAZL |
COD | 7052848 |