UCSF

ZINC01392186

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: ethyl 4-cyano-1-(4-methylphenyl)-1H-pyrazole-5-carboxylate ethyl 4-cyano-1-(4-methylphenyl)…

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CAS Number: 318497-86-8

Other Names:

MFCD00664287

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) 2.24 8.13 -9.29 0 5 0 68 255.277 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 155 - 157 KeyOrganics

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