UCSF

ZINC01383262

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 18 Yes

Popular Name: 3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]-2-azetanone 3,3-dimethyl-1-[4-(trifluorometh…

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CAS Number: 303986-00-7

Other Names:

MFCD00793393

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) 3.35 2.5 -8.59 0 3 0 29 259.227 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 34 - 36 KeyOrganics

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Rings

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

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