UCSF

ZINC00527635

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 No

Popular Name: 2-Chloro-1-(1-methyl-1H-indol-3-yl)ethanone 2-Chloro-1-(1-methyl-1H-indol-3-…

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CAS Numbers: 17716-91-5 , [17716-91-5]

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) 2.28 7.39 -15.67 0 2 0 22 207.66 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 150 - 152 KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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