UCSF

ZINC01397659

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 20 Yes

Popular Name: 4-(4-bromophenyl)-2-(4-chlorophenyl)-4-oxobutanenitrile 4-(4-bromophenyl)-2-(4-chlorophe…

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CAS Number: 344281-57-8

Other Names:

MFCD00664424

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) 5.07 2.49 -12.46 0 2 0 40 348.627 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 126 - 128 KeyOrganics

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

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