UCSF

ZINC02557084

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 Yes

Popular Name: 5-(Trifluoromethoxy)isatin 5-(Trifluoromethoxy)isatin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 169037-23-4 , [169037-23-4]

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) 1.78 1.77 -8.02 1 4 0 59 231.129 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 170 - 172 Acros Organics
Melting_Point 170-172? Alfa-Aesar
Melting_Point 170-172° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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