ISDA: 9RDO

OGL

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: OGL

IUPAC Name: 4-fluoranyl-2-oxidanyl-benzamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccccc1

InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C7 H6 F N O2

Molecular weight: 155.126

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 2

Rotatable Bonds: 2

Heavy Atoms: 11

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	3.1.0.0	4-fluoranyl-2-oxidanyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C7H6FNO2/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3,10H,(H2,9,11)
InChIKey	InChI	1.06	DTROPWKBAVYTIC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=O)c1ccc(F)cc1O
SMILES	CACTVS	3.385	NC(=O)c1ccc(F)cc1O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1cc(c(cc1F)O)C(=O)N
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(c(cc1F)O)C(=O)N

Chemical Database Mapping

Database	Reference ID
PubChem	22563314
ZINC	ZINC000095712414
SureChEMBL	SCHEMBL1436288