UCSF

ZINC00170022

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 No

Popular Name: 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]nicotinic acid 2-[(3,4,4-trifluoro-3-butenyl)su…

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CAS Number: 453557-66-9

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) 2.29 2.31 -47.49 0 3 -1 53 262.232 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 123 - 125 KeyOrganics
MP 123-125° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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