UCSF

ZINC15974506

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 11 No

Popular Name: 4-Methylbenzamidoxime 4-Methylbenzamidoxime

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19227-13-5 , 40067-82-1 , 923023-83-0 , [1246434-09-2] , [19227-13-5]

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) 0.83 1.9 -29.02 4 3 1 58 151.189 2 ↓
Ref Reference (pH 7) 0.70 2.06 -6.21 3 3 0 59 150.181 1 ↓
Mid Mid (pH 6-8) 0.83 2.97 -19.44 3 3 0 61 150.181 2 ↓
Lo Low (pH 4.5-6) 0.70 1.89 -29.09 4 3 1 60 151.189 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 135-138? Alfa-Aesar
Melting_Point 135-138° Alfa-Aesar
MP 142-146° Matrix Scientific
melting_point 146 - 148 KeyOrganics
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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