UCSF

ZINC08730029

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 14 Yes

Popular Name: methyl 5-chloro-1-benzothiophene-2-carboxylate methyl 5-chloro-1-benzothiophene…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 35212-96-5 , [35212-96-5]

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) 3.63 1.16 -5.44 0 2 0 26 226.684 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 113 - 115 KeyOrganics
MP 113-115° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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