Neihumycin

Base Information

• Chemical Name: Neihumycin
• CAS No.: 111451-12-8
• Molecular Formula: C19H16 N2 O2
• Molecular Weight: 304.34
• NSC Number: 617674
• Nikkaji Number: J134.075A
• Metabolomics Workbench ID: 98483
• ChEMBL ID: CHEMBL5191805
• Mol file: 111451-12-8.mol

Synonyms:3,6-dibenzylidene-2-methoxy-3,6-dihydropyrazin-5-one;neihumicin

Chemical Property of Neihumycin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 55.24000
• Density: 1.14g/cm³
• LogP: 1.84840
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 304.121177757
• Heavy Atom Count: 23
• Complexity: 522

Purity/Quality:

95% ^*data from raw suppliers

NEIHUMICIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC(=CC2=CC=CC=C2)C(=O)NC1=CC3=CC=CC=C3
• Isomeric SMILES: COC\1=N/C(=C\C2=CC=CC=C2)/C(=O)N/C1=C\C3=CC=CC=C3

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