3,4-DI-1H-Indol-3-YL-1H-pyrrole-2,5-dicarboxylic acid

Base Information

• Chemical Name: 3,4-DI-1H-Indol-3-YL-1H-pyrrole-2,5-dicarboxylic acid
• CAS No.: 150044-68-1
• Molecular Formula: C₂₂H₁₅N₃O₄
• Molecular Weight: 385.379
• ChEMBL ID: CHEMBL491841
• DSSTox Substance ID: DTXSID90462496
• Metabolomics Workbench ID: 114015
• Nikkaji Number: J547.927D
• Wikidata: Q27096807
• Mol file: 150044-68-1.mol

Synonyms:chromopyrrolic acid

Chemical Property of 3,4-DI-1H-Indol-3-YL-1H-pyrrole-2,5-dicarboxylic acid

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 385.10625597
• Heavy Atom Count: 29
• Complexity: 604

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C3=C(NC(=C3C4=CNC5=CC=CC=C54)C(=O)O)C(=O)O

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