UCSF

ZINC08730028

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Methyl 6-chlorobenzo[b]thiophene-2-carboxylate Methyl 6-chlorobenzo[b]thiophene…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 104795-85-9 , [104795-85-9]

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 -5.17 0 2 0 26 226.684 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 107 - 109 KeyOrganics
MP 107-109° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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