5469 <common-name>C.I. Direct Black 38</common-name> <description nil="true"/> <cas>1937-37-7</cas> <pubchem-id>5284349</pubchem-id> <chemical-formula>C34H25N9Na2O7S2</chemical-formula> <weight>781.7</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">2016-05-19T01:42:33Z</created-at> <updated-at type="dateTime">2026-04-17T15:57:44Z</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>[Na+].[Na+].NC1=CC(N)=C(C=C1)\N=N\C1=CC=C(C=C1)C1=CC=C(C=C1)\N=N\C1=C(C=C2C=C(C(\N=N\C3=CC=CC=C3)=C([O-])C2=C1N)S(O)(=O)=O)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C34H25N9Na2O7S2</moldb-formula> <moldb-inchi>InChI=1S/C34H27N9O7S2.2Na/c35-22-10-15-27(26(36)18-22)41-38-24-11-6-19(7-12-24)20-8-13-25(14-9-20)40-42-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)37)43-39-23-4-2-1-3-5-23;;/h1-18,44H,35-37H2,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b41-38+,42-40+,43-39+;;</moldb-inchi> <moldb-inchikey>XRPLBRIHZGVJIC-UVHCWRHYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">781.73</moldb-average-mass> <moldb-mono-mass type="decimal">781.11137509</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>17214995</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>CHEM004364</chemdb-id> <dsstox-id>DTXSID7020184</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00020763</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>286.85</moldb-polar-surface-area> <moldb-refractivity>217.35710000000003</moldb-refractivity> <moldb-polarizability>76.675950257291</moldb-polarizability> <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count> <moldb-acceptor-count>16</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>-2.8697044813289008</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.5975996189603547</moldb-pka-strongest-basic> <moldb-physiological-charge>-2</moldb-physiological-charge> <moldb-number-of-rings>6</moldb-number-of-rings> <moldb-alogps-logp>3.73</moldb-alogps-logp> <moldb-alogps-logs>-5.26</moldb-alogps-logs> <moldb-alogps-solubility>4.28e-03 g/l</moldb-alogps-solubility> </compound>