310595 <common-name>3-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxypropanoic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3052174</pubchem-id> <chemical-formula>C18H14O4S</chemical-formula> <weight>326.4</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">2026-08-29T06:01:15Z</created-at> <updated-at type="dateTime">2026-08-29T06:01:15Z</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=C2C(=C1)C(=CC=C2OCCC(=O)O)C(=O)C3=CC=CS3</moldb-smiles> <moldb-formula>C18H14O4S</moldb-formula> <moldb-inchi>InChI=1S/C18H14O4S/c19-17(20)9-10-22-15-8-7-14(12-4-1-2-5-13(12)15)18(21)16-6-3-11-23-16/h1-8,11H,9-10H2,(H,19,20)</moldb-inchi> <moldb-inchikey>BHCBTLDYRQBSKJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">326.0612801</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</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>CHEM306488</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>3-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxypropanoic acid</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>Naphthalenes</klass> <subklass>Naphthalenecarboxylic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0261568</sync-id> <structure-inchikey>BHCBTLDYRQBSKJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>460000000000001001800200000000001000000000000000000000000040000000000000100000000000000000000104000000100000080000000000000000000000000002000000000200000000000020000010000100000000000000000000000000010000000000000000000000000010004000000000000000000000000000000000000000800000000000000000000000000100000000000000000000010000000000004000040000080000000000000000080000000000000002000000000009040000000000000000000000000000000000000000400200000000000000000000000000000040000000200400000000000020000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>511000300132864088000940012820000000940001052000003522408200080c44220010128000000000410800800000242000a4c08c36010027643000a04004c6130c001290060000901030046a0300080405c055011b3240040426000049000c2805270048820020000400c5348001200680500125e0041508202002510012004c00084ef0820808060242882c0008191c081244c014820004880008c00084404110001010c00002000941017c25100ac00000894108481980421008c002100000008404000033018000001405028004010000020050200d0002040800030010104810008900000000040351122000081000308142020e0000122052010000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������@(������@(������@h�������@(������@h�������@h�������@(�������(�������`�������`�������(�������(�������h��������(�������(������@(������@h�������@h�������@h�������@(��������h���h���h���h���h���h���h���h�� h� ������ � �(� � �� ��(��� ��h���h���h���h���h� �h���h�B�������������� �������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:17:59Z</structure-indexed-at> </compound>