UCSF

ZINC00242451

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 1-Acetylindolin-3-one 1-Acetylindolin-3-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16800-68-3 , 33025-60-4 , [33025-60-4]

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) 2.19 3.25 -11.32 1 3 0 42 175.187 0 ↓
Mid Mid (pH 6-8) 2.19 3.88 -46.91 0 3 -1 45 174.179 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 133-134° Matrix Scientific
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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