UCSF

ZINC01597975

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

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) 1.92 5.86 -4.66 0 1 0 17 140.226 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 19 Acros Organics
Melting_Point 19? Alfa-Aesar
Melting_Point 19° Alfa-Aesar
Boiling_Point 224-226? Alfa-Aesar
Boiling_Point 224-226° Alfa-Aesar
BP [°C] 226 Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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