71G

3-aminobenzonitrile

Created:	2016-08-10
Last modified:	2017-02-15

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1 entries where 71G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	6

2D diagram of 71G

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Chemical Component Summary
Name	3-aminobenzonitrile
Systematic Name (OpenEye OEToolkits)	3-azanylbenzenecarbonitrile
Formula	C₇ H₆ N₂
Molecular Weight	118.136
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cc(N)ccc1)C#N
SMILES	CACTVS	3.385	Nc1cccc(c1)C#N
SMILES	OpenEye OEToolkits	2.0.5	c1cc(cc(c1)N)C#N
Canonical SMILES	CACTVS	3.385	Nc1cccc(c1)C#N
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1cc(cc(c1)N)C#N
InChI	InChI	1.03	InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2
InChIKey	InChI	1.03	NJXPYZHXZZCTNI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	16702
ChEMBL	CHEMBL326475
CCDC/CSD	JEHZUU, SEGFOB, OLOXUK, GUMFAV02, YAFVOS, BERTIB

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.