UCSF

ZINC01397616

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Substance Information

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

Popular Name: 4-(4-chlorophenyl)-2-(3-fluorophenyl)-4-oxobutanenitrile 4-(4-chlorophenyl)-2-(3-fluoroph…

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CAS Number: 344280-90-6

Other Names:

MFCD00664402

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) 4.40 3.99 -12.69 0 2 0 40 287.721 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 123 - 126 KeyOrganics

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