UCSF

ZINC01396404

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 17 Yes

Popular Name: (4-Chlorophenyl)-(6-chloropyridazin-3-yl)-acetonitrile (4-Chlorophenyl)-(6-chloropyrida…

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CAS Number: 339008-49-0

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) 3.31 6.85 -8.06 0 3 0 50 264.115 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 146 - 148 KeyOrganics
MP 146-148° Fluorochem
Purity 95% Fluorochem

Activity (Go SEA)

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

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