UCSF

ZINC02567938

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 No

Popular Name: (2E,4E)-Hepta-2,4-dienal (2E,4E)-Hepta-2,4-dienal

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CAS Numbers: 4313-03-5 , 4313/3/5 , 5910-85-0 , [4313-03-5]

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) 2.05 2.27 -6.77 0 1 0 17 110.156 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 85 / 20 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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