UCSF

ZINC01382427

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 24 No

Popular Name: N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yliden)methyl]-3-(trifluoromethyl)benzenecarboxamide N-[(2,2-dimethyl-4,6-dioxo-1,3-d…

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CAS Number: 477885-72-6

Other Names:

MFCD00794301

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) 2.50 3.83 -10.59 1 6 0 81 343.257 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 107 - 108 KeyOrganics

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Rings

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

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