Template:Molecule: Difference between revisions
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<noinclude>Template for Molecule</noinclude> | <noinclude>Template for Molecule</noinclude> | ||
<includeonly> | <includeonly> | ||
{{#if: {{{cid|}}} | | {| class="float-right infobox molecule-infobox wikitable" style="font-size:90%; margin-top:0; width:410px; max-width:500px;" | ||
{{#if: {{{cas|}}} | | |- | ||
{{#if: {{{iupacName|}}} | | !colspan="2" style="font-size:120%; text-align:center; " | Properties | ||
{{#if: {{{abbrev|}}} | | |- | ||
{{#if: {{{trivialname|}}} | | | CID || {{#if: {{{cid|}}} | [https://pubchem.ncbi.nlm.nih.gov/compound/{{{cid}}} {{{cid}}}]|n/a}} | ||
{{#if: {{{molecularMass|}}} | | |- | ||
{{#if: {{{molecularFormula|}}} | | | CAS || {{#if: {{{cas|}}} | {{#set: CAS={{{cas}}} }} {{{cas}}}|n/a}} | ||
{{#if: {{{logP|}}} | | |- | ||
{{#if: {{{hasVendors|}}} | | | IUPAC-Name || {{#if: {{{iupacName|}}} | {{#set: IUPACName={{{iupacName}}} }} {{{iupacName}}}|n/a}} | ||
{{#if: {{{ | |- | ||
| Abbreviation || {{#if: {{{abbrev|}}} | {{#set: Abbreviation={{{abbrev}}} }} {{{abbrev}}}|n/a}} | |||
|- | |||
| Trivialname|| {{#if: {{{trivialname|}}} | {{#set: Trivialname={{{trivialname}}} }} {{{trivialname}}}|n/a}} | |||
|- | |||
| Exact mass || {{#if: {{{molecularMass|}}} | {{#set: MolecularMass={{{molecularMass}}} }} {{{molecularMass}}}|n/a}} | |||
|- | |||
| Molecular formula ||{{#if: {{{molecularFormula|}}} | {{#set: MolecularFormula={{{molecularFormula}}} }} {{{molecularFormula}}}|n/a}} | |||
|- | |||
| LogP || {{#if: {{{logP|}}} | {{#set: LogP={{{logP}}} }} {{{logP}}}|n/a}} | |||
|- | |||
| Has vendors || {{#if: {{{hasVendors|}}} | {{#set: HasVendors={{{hasVendors}}} }} {{{hasVendors}}}|n/a}} | |||
|- | |||
| Molecular role || {{#if: {{{molecular_role|}}} | {{#arraymap:{{{molecular_role|}}}|,|x| [[MolecularRole::x]] }}|n/a}} | |||
|- | |||
| Synonyms|| {{#if: {{{synonyms|}}} | {{#arraymap:{{{synonyms|}}}|$|x| [[Synonym::x]] }} |n/a}} | |||
|- | |||
|} | |||
{{#tag:chemform| | {{#tag:chemform| | ||
{{{molOrRxn}}} | {{{molOrRxn}}} | ||
| Line 25: | Line 36: | ||
}} | }} | ||
{{#arraymap:{{#extractElements:|formula={{{smiles|}}} }}|,|x|[[ContainsElement::x| ]]|\s}} | {{#arraymap:{{#extractElements:|formula={{{smiles|}}} }}|,|x|[[ContainsElement::x| ]]|\s}} | ||
<div> | |||
<div><span class="ce-copy-molOrRxn">Click here to copy MOL-file.</span></div> | |||
<div><span class="toggle-box" resource="chemdata">Click here to show SMILES and InChI.</span></div> | |||
{| id="chemdata" class="infobox wikitable" style="display:none;" | |||
|- | |||
| InChI || {{#if: {{{inchi|}}} | {{#set: InChI={{{inchi}}} }} {{{inchi}}}|}} | |||
|- | |||
| InChI-Key || {{#if: {{{inchikey|}}} | {{#set: InChIKey={{{inchikey}}} }} {{{inchikey}}}|}} | |||
|- | |||
| SMILES || {{#set: Smiles={{{smiles}}} }} {{{smiles}}} | |||
|- | |||
|} | |||
{{#set: Molfile={{{molOrRxn}}} }} | |||
</div> | |||
{{#if: {{{parent|}}} | Belongs to molecule collection: [[{{{parent}}}]] | }} | |||
[[Category:Molecule]] | [[Category:Molecule]] | ||
<includeonly> | <includeonly> | ||
Latest revision as of 13:55, 21 November 2024
Template for Molecule
