UCSF

ZINC35633089

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 No

Popular Name: ethyl 4-(4-nitrophenyl)-1,3-thiazole-2-carboxylate ethyl 4-(4-nitrophenyl)-1,3-thia…

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CAS Numbers: 53101-04-5 , [53101-04-5]

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) 2.44 7.57 -14.28 0 6 0 85 278.289 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.780000000000000e+002 - 1.800000000000000e+002 KeyOrganics
melting_point 178 - 180 KeyOrganics
MP 178-180° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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