UCSF

ZINC01694405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 No

CAS Number: 1120-06-5

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) 4.01 5.08 -2.02 1 1 0 20 158.285 7

Vendor Notes

Note Type Comments Provided By
Mp [°C] 5 Acros Organics
Melting_Point 5? Alfa-Aesar
Melting_Point Alfa-Aesar
BP [°C] 211 Acros Organics
Boiling_Point 211? Alfa-Aesar
Boiling_Point 211° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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