UCSF

ZINC34565306

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 11 Yes

Popular Name: 4-iodo-1,3-dihydro-2H-indol-2-one 4-iodo-1,3-dihydro-2H-indol-2-one

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CAS Numbers: 179536-52-8 , [179536-52-8]

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) 2.14 4.03 -5.97 1 2 0 29 259.046 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 217 - 219 KeyOrganics
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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