UCSF

ZINC00154415

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 13 Yes

Popular Name: 6-(Trifluoromethyl)nicotinimidamide 6-(Trifluoromethyl)nicotinimidamide

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CAS Numbers: 221313-11-7 , 438249-89-9 , [221313-11-7] , [438249-89-9]

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) 0.05 1.58 -42.41 4 3 1 65 190.148 2 ↓
Lo Low (pH 4.5-6) 0.05 1.84 -103.46 5 3 2 66 191.156 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 191-193° Matrix Scientific
Purity 95% Fluorochem
Purity 98% 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.