![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
IND : Summary
Code ![](/pdbe/static/images/help.png)
|
IND
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
INDOLE
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C8 H7 N
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
117.148 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
c1cccc2c1ccn2 |
SMILES
|
CACTVS |
3.341 |
[nH]1ccc2ccccc12 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)cc[nH]2 |
Canonical SMILES
|
CACTVS |
3.341 |
[nH]1ccc2ccccc12 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)cc[nH]2 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SIKJAQJRHWYJAI-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
16 (9 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)
|
1999-07-08
|
Last modified at ![](/pdbe/static/images/help.png)
|
2011-06-04
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|