![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
11X : Summary
Code ![](/pdbe/static/images/help.png)
|
11X
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
N-(pyridin-3-ylmethyl)aniline
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C12 H12 N2
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
184.237 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
n1cccc(c1)CNc2ccccc2 |
SMILES
|
CACTVS |
3.341 |
C(Nc1ccccc1)c2cccnc2 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)NCc2cccnc2 |
Canonical SMILES
|
CACTVS |
3.341 |
C(Nc1ccccc1)c2cccnc2 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)NCc2cccnc2 |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BJXLHKJBRORJJJ-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
26 (14 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)
|
2008-09-18
|
Last modified at ![](/pdbe/static/images/help.png)
|
2021-03-01
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|