UCSF

ZINC04014521

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 14 No

Popular Name: N-(4-methyl-2-nitrophenyl)acetamide N-(4-methyl-2-nitrophenyl)acetamide

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CAS Numbers: 29111-73-7 , 612-45-3 , [612-45-3]

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) 1.49 5.02 -8.03 1 5 0 75 194.19 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 98-100o C Indofine
SOLUBILITY Soluble in Chloroform Indofine

Activity (Go SEA)

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