UCSF

ZINC04206837

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 11 No

Popular Name: 3-Chlorobenzamide oxime 3-Chlorobenzamide oxime

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CAS Numbers: 22179-77-7 , [22179-77-7]

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) 1.03 1.74 -31.71 4 3 1 58 171.607 2 ↓
Ref Reference (pH 7) 0.90 1.89 -5.2 3 3 0 59 170.599 1 ↓
Ref Reference (pH 7) 0.90 1.69 -5.55 3 3 0 59 170.599 1 ↓
Mid Mid (pH 6-8) 1.03 2.75 -16.81 3 3 0 61 170.599 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 116 - 118 Enamine Building Blocks
MP 116-118° Oakwood Chemical
MP 116...118 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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