UCSF

ZINC02389515

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 14 Yes

Popular Name: 5-Methoxyindole-3-acetonitrile 5-Methoxyindole-3-acetonitrile

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CAS Numbers: 2436-17-1 , [2436-17-1]

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) 2.09 1.73 -12.61 1 3 0 49 186.214 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific

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