UCSF

ZINC00154029

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 Yes

Popular Name: 2-Quinolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanone 2-Quinolin-4-yl-1-[4-(trifluorom…

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CAS Numbers: 476472-22-7 , 51501-31-6

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) 4.40 3.24 -12.93 0 2 0 29 315.294 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 157° Oakwood Chemical
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.