UCSF

ZINC04237546

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 No

Popular Name: 3-(3,4-Dimethylphenyl)-1H-pyrazole-4-carbaldehyde 3-(3,4-Dimethylphenyl)-1H-pyrazo…

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CAS Numbers: , 696646-69-2

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) 2.54 5.42 -8.24 1 3 0 46 200.241 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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