UCSF

ZINC67173004

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 17 Yes

Popular Name: 1-(1-(4-Methoxybenzyl)-1H-1,2,3-triazol-4-yl)ethanone 1-(1-(4-Methoxybenzyl)-1H-1,2,3-…

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CAS Numbers: 1001112-90-8 , 88860-93-9 , [1001112-90-8] , [88860-93-9]

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) 1.64 4.55 -10.46 0 5 0 57 231.255 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 112 - 114 KeyOrganics

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