ISDA: 9VYM

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1EUY

IUPAC Name: 2-chloranylquinoxaline

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc2nccnc2c1

InChI: InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H

InChI Key: XSCHRSMBECNVNS-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C8 H5 Cl N2

Molecular weight: 164.592

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 11

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	2-chloranylquinoxaline

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C8H5ClN2/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H
InChIKey	InChI	1.06	BYHVGQHIAFURIL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cnc2ccccc2n1
SMILES	CACTVS	3.385	Clc1cnc2ccccc2n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)ncc(n2)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)ncc(n2)Cl