UCSF

ZINC00075546

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamide 3-(2-chloro-6-fluorophenyl)-5-me…

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CAS Number: 4415-11-6

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) 1.81 0.08 -12.69 2 4 0 69 254.648 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 127 - 129 Acros Organics
MP 127-129° Fluorochem
melting_point 138 - 140 KeyOrganics
PUBCHEM_PATENT_ID EP0249909A1; EP0253337A2; US4075337; US4081546; US4851422; US4876251; US4891427; US4897489; US4906659; US4956358 IBM Patent Data
PUBCHEM_PATENT_ID EP0250096A1; EP0271829A2 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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