UCSF

ZINC03883623

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 15 Yes

Popular Name: 1-[5-(4-chlorophenyl)-2-thienyl]-1-ethanone 1-[5-(4-chlorophenyl)-2-thienyl]…

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CAS Numbers: 51335-90-1 , [51335-90-1] , [51336-47-1]

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) 4.33 0.94 -6.2 0 1 0 17 236.723 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 114 - 116 KeyOrganics
MP 114-116° Matrix Scientific
MP 120 - 122 Enamine Building Blocks
MP 120...122 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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