UCSF

ZINC00085632

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 4,4'-Biphenyldicarbonitrile 4,4'-Biphenyldicarbonitrile

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CAS Numbers: 1591-30-6 , [1591-30-6]

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) 3.24 4.49 -9.94 0 2 0 47 204.232 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 232-236? Alfa-Aesar
Melting_Point 232-236° Alfa-Aesar
MP 238 TCI
Purity 97% Fluorochem

Activity (Go SEA)

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