UCSF

ZINC04206329

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 18 Yes

Popular Name: Methyl [1-(3-chlorophenyl)-5-hydroxy-1H-pyrazol-3-yl]acetate Methyl [1-(3-chlorophenyl)-5-hyd…

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CAS Numbers: , 1158589-04-8 , 852956-37-7

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) 2.25 6.18 -19.52 1 5 0 64 266.684 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 16 - 18 Enamine Building Blocks
MP 16...18 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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