UCSF

ZINC12341485

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2008 11 No

Popular Name: 4-methoxybenzaldehyde oxime 4-methoxybenzaldehyde oxime

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CAS Numbers: , 3235-04-9 , 3717-22-4

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) 2.41 1.63 -6.18 1 3 0 42 151.165 2 ↓
Ref Reference (pH 7) 2.41 1.78 -6.74 1 3 0 42 151.165 2 ↓
Ref Reference (pH 7) 1.59 1.85 -4.25 0 3 0 39 151.165 3 ↓

Vendor Notes

Note Type Comments Provided By
mp 267 - 268 MolMall (formerly Molecular Diversity Preservation International)
MP 61 - 63 Enamine Building Blocks
MP 61...63 Enamine Building Blocks
MP 64 - 66 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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