UCSF

ZINC00097021

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetonitrile (1,3-dioxo-1,3-dihydro-2H-isoind…

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CAS Numbers: , 3842-20-4 , 3845-20-4 , [3842-20-4]

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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) 1.31 4.53 -11.82 0 4 0 63 186.17 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 124 - 126 Enamine Building Blocks
MP 124...126 Enamine Building Blocks
MP 125 - 127 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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