UCSF

ZINC04294417

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 15 No

Popular Name: 5-Isopropyl-2-methyl-4-nitro-2 H -pyrazole-3-carboxylic acid 5-Isopropyl-2-methyl-4-nitro-2 H…

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CAS Number: 78208-74-9

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) 1.36 4.64 -43.39 0 7 -1 104 212.185 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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