<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">364084</id>
  <title nil="true"/>
  <common-name>2-[(e)-2h-tetrazol-5-yliminomethyl]phenol</common-name>
  <description>2-[(e)-2h-tetrazol-5-yliminomethyl]phenol is a chemical compound with the formula C8H7N5O. It has an average molecular weight of 189.17 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>135684509</pubchem-id>
  <chemical-formula>C8H7N5O</chemical-formula>
  <weight>189.17</weight>
  <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">2026-09-01T13:51:26Z</created-at>
  <updated-at type="dateTime">2026-09-01T13:51:26Z</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>C1=CC=C(C(=C1)C=NC2=NNN=N2)O</moldb-smiles>
  <moldb-formula>C8H7N5O</moldb-formula>
  <moldb-inchi>InChI=1S/C8H7N5O/c14-7-4-2-1-3-6(7)5-9-8-10-12-13-11-8/h1-5,14H,(H,10,11,12,13)/b9-5+</moldb-inchi>
  <moldb-inchikey>IULCJGXJOXWRNF-WEVVVXLNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">189.0650599</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM359977</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-[(e)-2h-tetrazol-5-yliminomethyl]phenol</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Phenols</klass>
  <subklass>1-hydroxy-4-unsubstituted benzenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0314099</sync-id>
  <structure-inchikey>IULCJGXJOXWRNF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000000000000000000000040000000000000000000000000000000040000000000000000000000000002000000000000000400000000000000000000000000000000000000000000000000000000000000200000004000000000000000000010000000000000080000000400000000000000840000000000000000000000000000000800080200000000000080000000100000000000000000000400000000000008002000000080800000000000000000000000000000000000000000000000000002100000000000000000000000000000000000200000000000010000001000000000040000000000000000020000000000000080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T06:00:30Z</structure-indexed-at>
</compound>
