UCSF

ZINC02026703

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 14 Yes

Popular Name: 1-allyl-1H-indole-2,3-dione 1-allyl-1H-indole-2,3-dione

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CAS Numbers: 374598-03-5 , 830-74-0 , [830-74-0]

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) 1.54 5.48 -10.19 0 3 0 39 187.198 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 108 - 110 Enamine Building Blocks
MP 108...110 Enamine Building Blocks
melting_point 87 - 90 KeyOrganics
MP 87-90° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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