UCSF

ZINC00154777

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

Popular Name: 2,1-BENZISOXAZOLE 2,1-BENZISOXAZOLE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 271-58-9 , [271-58-9]

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) 1.73 4.14 -8.04 0 2 0 26 119.123 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 101 / 15 TCI
Purity 99% Fluorochem
Patent Database Links EP1955691; US2005261334; US2008287490 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_PATENT_ID US5280009 IBM Patent Data

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