UCSF

ZINC00169890

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 Yes

Popular Name: 1-benzyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid 1-benzyl-6-oxo-1,6-dihydro-3-pyr…

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CAS Numbers: 4332-79-0 , [4332-79-0]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.77 6.85 -44.86 0 4 -1 62 228.227 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 205 - 207 KeyOrganics
MP 205-207° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )