UCSF

ZINC02555793

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 No

Popular Name: 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride 1-(4-nitrophenyl)-5-(trifluorome…

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CAS Number: 175137-36-7

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) 3.14 4 -7.64 0 6 0 80 319.626 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 77-79° Matrix Scientific
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.