UCSF

ZINC00161372

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Popular Name: Methyl 2-[2-(trifluoromethyl)quinolin-4-ylthio]-acetate Methyl 2-[2-(trifluoromethyl)qui…

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CAS Numbers: 175203-42-6 , [175203-42-6]

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) 3.82 3.04 -9.3 0 3 0 39 301.289 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 96-98° Matrix Scientific
Warnings Irritant Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.