UCSF

ZINC34319921

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 12 No

Popular Name: 3-Methyl-5-nitrobenzonitrile 3-Methyl-5-nitrobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 124289-22-1 , [124289-22-1]

Other Names:

MFCD17170423

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) 2.03 6.25 -7.88 0 4 0 70 162.148 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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