UCSF

ZINC04269631

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 14 No

Popular Name: Pentafluorophenyl isothiocyanate Pentafluorophenyl isothiocyanate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 35923-79-6 , [35923-79-6]

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) 3.83 3.99 -2.22 0 1 0 12 225.141 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 109-110?/35mm Alfa-Aesar
Boiling_Point 109-110°/35mm Alfa-Aesar

Activity (Go SEA)

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