UCSF

ZINC03111133

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 19 Yes

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

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CAS Number: 338398-19-9

Other Names:

MFCD00172427

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 8.88 -11.63 0 5 0 57 300.145 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 170 - 172 KeyOrganics

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