UCSF

ZINC21780614

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 16 Yes

Popular Name: 3-(3-bromophenyl)-5-methylisoxazole-4-carboxylic acid 3-(3-bromophenyl)-5-methylisoxaz…

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CAS Numbers: , 954230-35-4

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) 2.60 6.54 -51.07 0 4 -1 66 281.085 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 169 - 171 Enamine Building Blocks
MP 169...171 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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