UCSF

ZINC01390249

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 15 No

Popular Name: 4-Methyl-6-nitro-2H-1,4-benzoxazin-3-one 4-Methyl-6-nitro-2H-1,4-benzoxaz…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 103361-68-8 , [103361-68-8]

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) 1.17 4.13 -9.13 0 6 0 75 208.173 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 194 - 196 KeyOrganics

Activity (Go SEA)

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