UCSF

ZINC01385694

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 19 Yes

Popular Name: ethyl 1-(3,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate ethyl 1-(3,5-dichlorophenyl)-5-m…

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CAS Number: 338408-01-8

Other Names:

MFCD00173540

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) 2.84 8.65 -9.66 0 5 0 57 300.145 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 147 - 149 KeyOrganics

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