UCSF

ZINC00161685

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 No

Popular Name: 5-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-furaldehyde 5-[(1,3-dioxo-1,3-dihydro-2H-iso…

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CAS Numbers: 116750-06-2 , [116750-06-2]

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) 2.41 1.73 -11.45 0 5 0 69 255.229 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 125 - 126 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.