ISDA: 6ZRA

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: QFT

IUPAC Name: 2-fluoranyl-5-nitro-phenol

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: C6 H4 F N O3

Molecular weight: 157.099

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 2

Heavy Atoms: 11

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	2-fluoro-5-nitrophenol
OpenEye OEToolkits	3.1.0.0	2-fluoranyl-5-nitro-phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Fc1ccc(cc1O)[N+]([O-])=O
InChI	InChI	1.06	InChI=1S/C6H4FNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H
InChIKey	InChI	1.06	WFRLFZAMCVAQLN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1cc(ccc1F)[N+]([O-])=O
SMILES	CACTVS	3.385	Oc1cc(ccc1F)[N+]([O-])=O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1cc(c(cc1[N+](=O)[O-])O)F
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(c(cc1[N+](=O)[O-])O)F

Chemical Database Mapping

Database	Reference ID
PubChem	23498100
ZINC	ZINC000014007835
SureChEMBL	SCHEMBL2144325