UCSF

ZINC03898163

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 18 No

Popular Name: 2-(2-hydroxyethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione 2-(2-hydroxyethyl)-1H-benzo[de]i…

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CAS Numbers: 5450-40-8 , [5450-40-8]

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) 1.43 4.21 -13.66 1 4 0 59 241.246 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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