11554 <common-name>Copper, [2,9,16,23-tetrachloro-29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-</common-name> <description nil="true"/> <cas>16040-69-0</cas> <pubchem-id>61825</pubchem-id> <chemical-formula>C32H12Cl4CuN8</chemical-formula> <weight>713.8</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">2016-05-19T03:22:36Z</created-at> <updated-at type="dateTime">2026-04-17T15:34:30Z</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>[Cu++].ClC1=CC2=C3[N-]C(\N=C4/N=C(/N=C5\N=C(\N=C6/N=C([N-]3)C3=C6C=C(Cl)C=C3)C3=C5C=C(Cl)C=C3)C3=C4C=C(Cl)C=C3)=C2C=C1</moldb-smiles> <moldb-formula>C32H12Cl4CuN8</moldb-formula> <moldb-inchi>InChI=1S/C32H12Cl4N8.Cu/c33-13-1-5-17-21(9-13)29-37-25(17)41-30-22-10-14(34)2-6-18(22)27(38-30)43-32-24-12-16(36)4-8-20(24)28(40-32)44-31-23-11-15(35)3-7-19(23)26(39-31)42-29;/h1-12H;/q-2;+2</moldb-inchi> <moldb-inchikey>BYBLFAOJNIFPEB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">713.85</moldb-average-mass> <moldb-mono-mass type="decimal">710.923501</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM010449</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006211</stoff-ident-id> <susdat-id nil="true"/> <iupac nil="true"/> <moldb-polar-surface-area>103.12</moldb-polar-surface-area> <moldb-refractivity>176.60799999999998</moldb-refractivity> <moldb-polarizability>67.45744630757159</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>9.471419285345702</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.211934180538694</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>9</moldb-number-of-rings> <moldb-alogps-logp>6.30</moldb-alogps-logp> <moldb-alogps-logs>-5.06</moldb-alogps-logs> <moldb-alogps-solubility>6.62e-03 g/l</moldb-alogps-solubility> </compound>