ISDA: 5GIY

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: 7GE

IUPAC Name: pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-)

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc2[nH][nH]cc2c1

InChI: ?

InChI Key: ?

Physiochemical Descriptor:

Formula: C7 H6 Cl5 N2 Ru

Molecular weight: 396.471

Hydrogen Bond Acceptor: 1

Hydrogen Bond Donor: 1

Rotatable Bonds: 0

Heavy Atoms: 15

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.6	pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-)

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C7H6N2.5ClH.Ru/c1-2-4-7-6(3-1)5-8-9-7;;;;;;/h1-5H,(H,8,9);5*1H;/q;;;;;;+5/p-5
InChIKey	InChI	1.03	BDILZFSGPXXJCX-UHFFFAOYSA-I
SMILES_CANONICAL	CACTVS	3.385	Cl[Ru-](Cl)(Cl)(Cl)(Cl)[n+]1[nH]c2ccccc2c1
SMILES	CACTVS	3.385	Cl[Ru-](Cl)(Cl)(Cl)(Cl)[n+]1[nH]c2ccccc2c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl