UCSF

ZINC02378521

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 Yes

Popular Name: 4-(3-Fluorophenyl)-4-oxobutyronitrile 4-(3-Fluorophenyl)-4-oxobutyroni…

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CAS Number: 298690-71-8

Other Names:

MFCD01319953

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) 1.33 6.34 -8.53 0 2 0 41 177.178 3 ↓

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