UCSF

ZINC39249349

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 17 Yes

Popular Name: ethyl 4-(4-chlorophenyl)-1,3-thiazole-2-carboxylate ethyl 4-(4-chlorophenyl)-1,3-thi…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 75680-91-0 , [75680-91-0]

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) 3.16 7.38 -10.67 0 3 0 39 267.737 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.060000000000000e+002 - 1.080000000000000e+002 KeyOrganics
melting_point 106 - 108 KeyOrganics
MP 106-108° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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