UCSF

ZINC21299528

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 13 Yes

Popular Name: 1-Methylindole-3-acetonitrile 1-Methylindole-3-acetonitrile

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CAS Numbers: 51584-17-9 , [51584-17-9]

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) 2.12 7.44 -10.69 0 2 0 29 170.215 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 98% Fluorochem

Activity (Go SEA)

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