UCSF

ZINC01386154

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 No

Popular Name: 6-(4-fluorophenyl)-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile 6-(4-fluorophenyl)-2-thioxo-4-(t…

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CAS Number: 625370-80-1

Other Names:

MFCD03305669

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) 3.29 3.06 -21.33 1 2 0 39 298.264 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 193 - 194 KeyOrganics

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Rings

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

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