UCSF

ZINC01404241

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 13 Yes

Popular Name: 3-(3-chlorophenoxy)-2-butanone 3-(3-chlorophenoxy)-2-butanone

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CAS Number: 27044-53-7

Other Names:

MFCD00243644

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) 2.56 2.05 -10.15 0 2 0 26 198.649 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point BP: (0.05mm Hg) 84 - 86 KeyOrganics

Activity (Go SEA)

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