UCSF

ZINC00156560

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: (4-Chlorophenylthio)acetone (4-Chlorophenylthio)acetone

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CAS Numbers: 131-58-8 , 25784-83-2

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) 2.60 0.91 -7.77 0 1 0 17 200.69 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 37-38° Oakwood Chemical
Purity 99% Fluorochem

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

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