UCSF

ZINC03134316

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 13 Yes

Popular Name: 3-(4-methylphenoxy)-2-butanone 3-(4-methylphenoxy)-2-butanone

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CAS Number: 91969-89-0

Other Names:

MFCD00243577

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) 2.35 2.52 -9.46 0 2 0 26 178.231 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point BP: (0.8mm Hg) 84 - 88 KeyOrganics

Activity (Go SEA)

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