UCSF

ZINC00153318

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 3-Methyl-4-nitrobenzamide 3-Methyl-4-nitrobenzamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 99584-85-7 , [99584-85-7]

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) 1.09 2.56 -10.42 2 5 0 89 180.163 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 158-160? Alfa-Aesar
Melting_Point 158-160° Alfa-Aesar

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

No pre-computed analogs available. Try a structural similarity search.