UCSF

ZINC03883825

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 12 Yes

Popular Name: 6-methyl-2H-1,4-benzoxazin-3(4H)-one 6-methyl-2H-1,4-benzoxazin-3(4H)…

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CAS Numbers: 39522-26-4 , [39522-26-4]

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) 1.41 2.38 -6.53 1 3 0 38 163.176 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 209 - 211 KeyOrganics
MP 209-211° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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