UCSF

ZINC02534803

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: 3-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-propanenitrile 3-(3,5-Dimethyl-4-nitro-1H-pyraz…

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CAS Numbers: 90953-15-4 , [90953-15-4]

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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) 0.17 5.46 -11.89 0 6 0 87 194.194 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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