UCSF

ZINC01400497

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 19 Yes

Popular Name: ethyl 1-(3-chlorophenyl)-4-cyano-1H-pyrazole-5-carboxylate ethyl 1-(3-chlorophenyl)-4-cyano…

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CAS Number: 321574-32-7

Other Names:

MFCD00664337

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) 2.66 4.03 -9.58 0 5 0 67 275.695 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 120 - 122 KeyOrganics

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