![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
J58 : Summary
Code ![](/pdbe/static/images/help.png)
|
J58
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
3-bromanyl-2~{H}-indazol-5-amine
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C7 H6 Br N3
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
212.047 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
CACTVS |
3.385 |
Nc1ccc2n[nH]c(Br)c2c1 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc2c(cc1N)c([nH]n2)Br |
Canonical SMILES
|
CACTVS |
3.385 |
Nc1ccc2n[nH]c(Br)c2c1 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
c1cc2c(cc1N)c([nH]n2)Br |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H6BrN3/c8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,9H2,(H,10,11) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AOKHRTSXJINPPJ-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
17 (11 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2019-01-25
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-02-07
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|