UCSF

ZINC02539749

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: 3-(3-Nitrophenyl)-3-oxopropanenitrile 3-(3-Nitrophenyl)-3-oxopropaneni…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21667-64-1 , [21667-64-1]

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) 0.85 6.1 -25.02 0 5 0 87 190.158 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 149 - 151 Enamine Building Blocks
MP 149...151 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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