UCSF

ZINC03135990

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 19 Yes

Popular Name: 2-(3-chloroanilino)-4H-3,1-benzoxazin-4-one 2-(3-chloroanilino)-4H-3,1-benzo…

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CAS Number: 81905-03-5

Other Names:

MFCD00262915

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) 4.05 7.11 -34.28 2 4 1 56 273.699 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 196 - 202 KeyOrganics

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