UCSF

ZINC00167778

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 14 No

Popular Name: 3-(dimethylamino)-2-(4-fluorophenyl)acrylonitrile 3-(dimethylamino)-2-(4-fluorophe…

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CAS Numbers: 320416-88-4 , [320416-88-4]

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) 1.81 6.65 -8.79 0 2 0 27 190.221 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 71 - 73 KeyOrganics
MP 71-73° Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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