21789 <common-name>1H-Tetrazol-1-acetic acid</common-name> <description nil="true"/> <cas>21732-17-2</cas> <pubchem-id>543207</pubchem-id> <chemical-formula>C3H4N4O2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-22T07:19:18Z</created-at> <updated-at type="dateTime">2026-03-31T18:43:53Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>OC(=O)CN1C=NN=N1</moldb-smiles> <moldb-formula>C3H4N4O2</moldb-formula> <moldb-inchi>InChI=1S/C3H4N4O2/c8-3(9)1-7-2-4-5-6-7/h2H,1H2,(H,8,9)</moldb-inchi> <moldb-inchikey>GRWAIJBHBCCLGS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">128.091</moldb-average-mass> <moldb-mono-mass type="decimal">128.033425385</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>472932</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM020684</chemdb-id> <dsstox-id>DTXSID9057686</dsstox-id> <toxcast-id>57686</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00010191</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>80.9</moldb-polar-surface-area> <moldb-refractivity>39.6192</moldb-refractivity> <moldb-polarizability>10.114796380544202</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>2.8912963846567665</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.0812215836565664</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>-2.32</moldb-alogps-logp> <moldb-alogps-logs>-0.75</moldb-alogps-logs> <moldb-alogps-solubility>2.30e+01 g/l</moldb-alogps-solubility> </compound>