UCSF

ZINC00056507

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: Piperonyl isobutyrate Piperonyl isobutyrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5461-08-5 , 8/5/5461 12:00:00 AM

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) 2.78 1.83 -7.62 0 4 0 44 222.24 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 167 / 10 TCI
Boiling_Point 91-92?/0.005mm Alfa-Aesar
Boiling_Point 91-92°/0.005mm Alfa-Aesar

Activity (Go SEA)

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