UCSF

ZINC00164187

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: methyl 3-amino-4-chloro-1-benzothiophene-2-carboxylate methyl 3-amino-4-chloro-1-benzot…

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CAS Numbers: 35212-86-3 , [35212-86-3]

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) 3.02 -0.37 -7.78 2 3 0 52 241.699 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 105 - 109 KeyOrganics
MP 105-109° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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