UCSF

ZINC01257868

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2004 15 Yes

Popular Name: 4-Cyano-4'-methylbiphenyl 4-Cyano-4'-methylbiphenyl

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CAS Numbers: 50670-50-3 , 58743-78-5

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) 3.94 3.44 -5.77 0 1 0 23 193.249 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 110 TCI
Melting_Point 98-100? Alfa-Aesar
Melting_Point 98-100° Alfa-Aesar

Activity (Go SEA)

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