UCSF

ZINC33420193

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 13 Yes

Popular Name: 2-(5-Chloro-1,3-benzoxazol-2-yl)ethanamine hydrochloride 2-(5-Chloro-1,3-benzoxazol-2-yl)…

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CAS Numbers: 1158341-14-0 , [1158341-14-0]

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) 1.61 0.74 -52.35 3 3 1 54 197.645 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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