UCSF

ZINC01690108

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: 3-(2-Oxocyclohexyl)propanenitrile 3-(2-Oxocyclohexyl)propanenitrile

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CAS Numbers: 4594-78-9 , [4594-78-9]

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) 0.99 5.81 -8.52 0 2 0 41 151.209 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 138-142?/10mm Alfa-Aesar
Boiling_Point 138-142°/10mm Alfa-Aesar
Purity 97% Fluorochem

Activity (Go SEA)

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