UCSF

ZINC02853353

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 18 No

Popular Name: 4-(4-Nitrophenoxy)benzonitrile 4-(4-Nitrophenoxy)benzonitrile

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CAS Numbers: 17076-68-5 , [17076-68-5]

Other Names:

AN-2933

MFCD00443712

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) 3.40 3.75 -9.18 0 5 0 78 240.218 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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