UCSF

ZINC00389802

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 Yes

Popular Name: 2-(3-Methoxyphenyl)cyclohexanone 2-(3-Methoxyphenyl)cyclohexanone

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CAS Number: 15547-89-4

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) 3.00 1.49 -7.05 0 2 0 26 204.269 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 140-142?/0.2mm Alfa-Aesar
Boiling_Point 140-142°/0.2mm Alfa-Aesar

Activity (Go SEA)

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