UCSF

ZINC00536898

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 21 No

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

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CAS Numbers: 637753-88-9 , N/A

Other Names:

MFCD04065080

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) 2.67 6.31 -10.82 1 6 0 96 283.239 2 ↓
Hi High (pH 8-9.5) 2.67 7.09 -38.74 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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