UCSF

ZINC00154181

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: 4-(4-Nitrophenyl)-1H-pyrazole 4-(4-Nitrophenyl)-1H-pyrazole

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CAS Numbers: 114474-26-9 , [114474-26-9]

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) 2.00 5.13 -11.19 1 5 0 75 189.174 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 158-159° Matrix Scientific
MP 205 - 207 Enamine Building Blocks
MP 205...207 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.