UCSF

ZINC00409266

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 Yes

Popular Name: 3-Ethoxybenzonitrile 3-Ethoxybenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 25117-75-3 , [25117-75-3]

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) 2.10 2.61 -5.83 0 2 0 33 147.177 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 241-244? Alfa-Aesar
Boiling_Point 241-244° Alfa-Aesar
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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