UCSF

ZINC02507458

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 1-(4-Chloro-3-methylphenyl)ethanone 1-(4-Chloro-3-methylphenyl)ethanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 37074-39-8 , [37074-39-8]

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) 2.89 1.81 -6.13 0 1 0 17 168.623 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 104-105?/0.4mm Alfa-Aesar
Boiling_Point 104-105°/0.4mm Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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