UCSF

ZINC03715872

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 13 Yes

Popular Name: 3-(3-chlorophenyl)-5-isoxazolamine 3-(3-chlorophenyl)-5-isoxazolamine

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CAS Numbers: 86685-95-2 , [86685-95-2]

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) 2.36 -1.01 -8.2 2 3 0 52 194.621 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 107 - 109 KeyOrganics
MP 107-109° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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