UCSF

ZINC00088574

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 Yes

Popular Name: (2-Oxo-1,3-benzothiazol-3(2H)-yl)acetic acid (2-Oxo-1,3-benzothiazol-3(2H)-yl…

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CAS Numbers: , 945-03-9 , [945-03-9]

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) 1.13 4.75 -51.94 0 4 -1 62 208.218 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95+% Fluorochem
Warnings IRRITANT Matrix Scientific

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