UCSF

ZINC05217255

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 27 No

Popular Name: 4-[(E)-3-(4-methylphenyl)-3-oxo-1-propenyl]phenyl 4-methylbenzenecarboxylate 4-[(E)-3-(4-methylphenyl)-3-oxo-…

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CAS Number: 298215-38-0

Other Names:

MFCD00169502

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) 6.58 4.52 -12.13 0 3 0 43 356.421 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 162 - 164 KeyOrganics

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