UCSF

ZINC00140847

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: ethyl 3-amino-4-chloro-1-benzothiophene-2-carboxylate ethyl 3-amino-4-chloro-1-benzoth…

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CAS Numbers: 67189-92-8 , [67189-92-8]

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) 3.39 6.27 -7.63 2 3 0 52 255.726 3 ↓

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