UCSF

ZINC01384049

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 17 Yes

Popular Name: Ethyl 3-(3-chlorophenyl)-[1,2,4]oxadiazole-5-carboxylate Ethyl 3-(3-chlorophenyl)-[1,2,4]…

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CAS Number: 478030-49-8

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) 2.91 0.65 -5.73 0 5 0 65 252.657 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 44 - 47 KeyOrganics
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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