ISDA: 1CZS

PHG

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: PHG

IUPAC Name: PHENYLMERCURY

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: [c-]1ccccc1

InChI: InChI=1S/C6H5/c1-2-4-6-5-3-1/h1-5H/q-1

InChI Key: BJISZDCMBMQNIY-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C6 H5 Hg

Molecular weight: 277.694

Hydrogen Bond Acceptor: 0

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 7

Systematic name

Program	Version	Descriptor
ACDLabs	10.04	phenylmercury
OpenEye OEToolkits	1.5.0	phenylmercury

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[Hg]c1ccccc1
SMILES_CANONICAL	CACTVS	3.341	[Hg]c1ccccc1
SMILES	CACTVS	3.341	[Hg]c1ccccc1
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(cc1)[Hg]
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)[Hg]
InChI	InChI	1.03	InChI=1S/C6H5.Hg/c1-2-4-6-5-3-1;/h1-5H;
InChIKey	InChI	1.03	DCNLOVYDMCVNRZ-UHFFFAOYSA-N

Chemical Database Mapping

Database	Reference ID
PubChem	53629745,567
ChEBI	CHEBI:49819
SureChEMBL	113384,8600420