UCSF

ZINC00536677

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 No

Popular Name: (2Z)-6-hydroxy-2-(4-nitrobenzylidene)-1-benzofuran-3(2H)-one (2Z)-6-hydroxy-2-(4-nitrobenzyli…

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CAS Number: 620545-96-2

Other Names:

MFCD04161853

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) 2.69 6.32 -11.15 1 6 0 96 283.239 2 ↓
Hi High (pH 8-9.5) 2.69 7.1 -41.44 0 6 -1 99 282.231 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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