UCSF

ZINC04829539

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 15 No

Popular Name: N-(2,3-Dimethyl-6-nitrophenyl)acetamide N-(2,3-Dimethyl-6-nitrophenyl)ac…

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CAS Numbers: 138330-47-9 , [138330-47-9]

Other Names:

MFCD00157612

N/A

NA

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) 1.87 1.89 -10.59 1 5 0 74 208.217 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1000941A1 IBM Patent Data

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