UCSF

ZINC01036880

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 22 Yes

Popular Name: 1,2-Phenylenebis(phenylmethanone) 1,2-Phenylenebis(phenylmethanone)

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CAS Numbers: 1159-86-0 , [1159-86-0]

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) 4.80 11.3 -9.98 0 2 0 34 286.33 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 144 - 147 Acros Organics
M.P 144-147 °C Indofine
Melting_Point 145-148? Alfa-Aesar
Melting_Point 145-148° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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