Nigellicine

Base Information

• Chemical Name: Nigellicine
• CAS No.: 98063-20-8
• Molecular Formula: C13H14 N2 O3
• DSSTox Substance ID: DTXSID901119037
• Metabolomics Workbench ID: 44293
• Wikidata: Q104888281

Synonyms:nigellicine

Chemical Property of Nigellicine

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 246.10044231
• Heavy Atom Count: 18
• Complexity: 542

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=O)C2=C(N3CCCCN3C2=C1)C(=O)O

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