UCSF

ZINC02487385

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 15 Yes

Popular Name: 7-(trifluoromethyl)-1H-indole-2,3-dione 7-(trifluoromethyl)-1H-indole-2,…

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CAS Numbers: 12/8/391 , 29943-42-8 , 391-12-8 , [391-12-8]

Download: MOL2 SDF SMILES Flexibase

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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) 1.68 2.97 -8.43 1 3 0 50 215.13 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 187 - 189 Enamine Building Blocks
MP 187...189 Enamine Building Blocks
MP 193 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.