5-[(2-Oxo-1,2-dihydro-3H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]quinoline-8-sulfonic acid

Base Information

• Chemical Name: 5-[(2-Oxo-1,2-dihydro-3H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]quinoline-8-sulfonic acid
• CAS No.: 179341-25-4
• Molecular Formula: C17H11 N3 O4 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID70708329
• Mol file: 179341-25-4.mol

Synonyms:179341-25-4;5-[(2-Oxo-1,2-dihydro-3H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]quinoline-8-sulfonic acid;SCHEMBL8325097;DTXSID70708329;KQWHOKRIXPZREO-UHFFFAOYSA-N

Chemical Property of 5-[(2-Oxo-1,2-dihydro-3H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]quinoline-8-sulfonic acid

Chemical Property:

• PSA: 117.63000
• LogP: 3.58800
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 353.04702701
• Heavy Atom Count: 25
• Complexity: 672

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2N=C1)S(=O)(=O)O)C=C3C4=C(NC3=O)N=CC=C4

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