ISDA: 5QHL

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: GQ7

IUPAC Name: [5-(4-aminophenyl)furan-2-yl]methanol

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc(-c2ccco2)cc1

InChI: InChI=1S/C10H8O/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H

InChI Key: GCXNJAXHHFZVIM-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C11 H11 N O2

Molecular weight: 189.211

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 2

Rotatable Bonds: 4

Heavy Atoms: 14

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.6	[5-(4-aminophenyl)furan-2-yl]methanol

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C11H11NO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7,12H2
InChIKey	InChI	1.03	PGRYIWSQXZECGD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1ccc(cc1)c2oc(CO)cc2
SMILES	CACTVS	3.385	Nc1ccc(cc1)c2oc(CO)cc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2ccc(o2)CO)N
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2ccc(o2)CO)N

Chemical Database Mapping

Database	Reference ID
PubChem	745887
ZINC	ZINC000000188736