UCSF

ZINC01386443

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 No

Popular Name: 5-(2,6-dichlorophenyl)-1-(4-methylphenyl)-1-penten-3-one 5-(2,6-dichlorophenyl)-1-(4-meth…

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CAS Number: 477854-91-4

Other Names:

MFCD01315000

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) 5.86 2.52 -6.73 0 1 0 17 319.231 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 96 - 98 KeyOrganics

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Rings

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

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