UCSF

ZINC01385778

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-(6-chloro-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl 2,3,3-trichloroacrylate 2-(6-chloro-3-pyridinyl)-5-methy…

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CAS Number: 400080-99-1

Other Names:

MFCD00215797

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) 4.80 -0.38 -5.82 0 4 0 52 384.071 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 132 - 133 KeyOrganics

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Rings

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

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