UCSF

ZINC00161652

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: methyl quinoline-6-carboxylate methyl quinoline-6-carboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 123-08-0 , 177478-49-8 , 38896-30-9 , [38896-30-9]

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) 2.09 5.5 -7.76 0 3 0 39 187.198 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 85 TCI
Mp [°C] 88 - 89 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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