UCSF

ZINC00122487

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Substance Information

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

Popular Name: 1-(2-phenyl-1,3-thiazol-4-yl)ethan-1-one 1-(2-phenyl-1,3-thiazol-4-yl)eth…

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CAS Numbers: 10045-52-0 , [10045-52-0]

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) 2.93 5.89 -6.34 0 2 0 30 203.266 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 84 Acros Organics
melting_point 98 - 99 KeyOrganics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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