UCSF

ZINC00167732

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: ethyl 5-nitro-1-benzothiophene-2-carboxylate ethyl 5-nitro-1-benzothiophene-2…

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CAS Numbers: 25785-09-5 , [25785-09-5]

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) 3.29 1.79 -7.63 0 5 0 72 251.263 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 164 - 165 KeyOrganics
Warnings IRRITANT Matrix Scientific

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