UCSF

ZINC01387652

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 19 No

Popular Name: 2-benzyl-1,3(2H,4H)-isoquinolinedione 2-benzyl-1,3(2H,4H)-isoquinoline…

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CAS Number: 21640-31-3

Other Names:

MFCD00474284

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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) 1.62 8.36 -8.84 0 3 0 37 251.285 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 133 - 134 KeyOrganics

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