UCSF

ZINC18149198

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 12 No

Popular Name: ISATIN-3-OXIME ISATIN-3-OXIME

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 607-28-3 , [607-28-3]

Download: MOL2 SDF SMILES Flexibase

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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) 1.22 -0.12 -9.67 2 4 0 65 162.148 0 ↓
Ref Reference (pH 7) 0.71 0.26 -8.65 1 4 0 59 162.148 1 ↓
Ref Reference (pH 7) 1.22 0.59 -10.78 2 4 0 65 162.148 0 ↓
Ref Reference (pH 7) 1.05 -0.21 -29.98 3 4 1 63 163.156 1 ↓
Ref Reference (pH 7) 0.71 0.26 -8.65 1 4 0 59 162.148 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 214 TCI
MP 217° Matrix Scientific
MP 242 - 244 Enamine Building Blocks
MP 242...244 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Melting_Point ca 228? dec. Alfa-Aesar
Melting_Point ca 228° dec. Alfa-Aesar
PUBCHEM_PATENT_ID EP0432648B1; EP0685463A1; EP0781284A1; EP0781284B1; EP0869958A1; EP1002535A1; US5192792; US5198461; US5364617; US5917053; US5952511; US6031111; US6114536; US6124285; US6127544; WO1991016034A1; WO1996008494A1; WO1998014447A1; WO1999049864A1; WO2000001376A2 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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