https://scidata.unf.edu/facet/00012860
generated at: 2022-12-12 22:01:15.188263
version: 2

SciData JSON-LD chemical twin file for neon-22
type: scidataFramework
uid: chalklab_chemtwin_GKAOGPIIYCISHV-NJFSPNSNSA-N
authors: 1
description: Metadata, identifiers, descriptors and molecular graph about a chemical substance
publisher: Chalk Research Laboratory, University of North Florida
version: 1.1
keywords: chemical twin
keywords: digital twin
keywords: chemical substance
permalink: https://scidata.unf.edu/tranche/chalklab/chemtwin/GKAOGPIIYCISHV-NJFSPNSNSA-N.jsonld
toc: sdo:scientificData
toc: sdo:system
toc: sdo:compound
toc: dc:source
toc: dc:rights
ids: obo:IAO_0000578
ids: ss:CHEMINF_000123
ids: ss:CHEMINF_000022
ids: obo:NCIT_C1940
ids: obo:CHEBI_25555
ids: ss:SIO_011118
scidata: scidata
sources: Chalk Research Group - SciData JSON-LD
rights: 1

1
type: author
name: Stuart Chalk
orcid: 0000-0002-0703-7776

scidata
type: scientificData
discipline: w3i:Chemistry
system: system

1
type: substance
name: neon-22
iupacname: neon-22
formula: Ne
molweight: 21.9914
monoisotopicmass: 21.9914
identifiers: identifier
descriptors: descriptor
molgraph: molgraph

identifier
type: IAO_0000578
inchi: InChI=1S/Ne/i1+2
inchikey: GKAOGPIIYCISHV-NJFSPNSNSA-N
csmiles: [22Ne]
ismiles: [22Ne]
casrn: 13886-72-1
pubchem: 53393498
dsstox: DTXSID90693920

descriptor
type: CHEMINF_000123
heavy atom: 1
atom chiral: 0
bond chiral: 0
isotope atom: 1
h bond acceptor: 0
h bond donor: 0
rotatable bond: 0
covalent unit: 1
tautomers: 1
chemont: CHEMONTID:0000001
chemont: CHEMONTID:0000423
chemont: CHEMONTID:0000433

Chalk Research Group - SciData JSON-LD
type: source
url: https://scidata.unf.edu

1
type: rights
holder: Chalk Research Group - University of North Florida
license: https://creativecommons.org/licenses/by-nc/4.0/