UCSF

ZINC01384947

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 Yes

Popular Name: 4-chlorophenyl [1,2,4]triazolo[4,3-a]quinoxalin-4-yl sulfide 4-chlorophenyl [1,2,4]triazolo[4…

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CAS Number: 245039-48-9

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) 4.30 0.88 -11.6 0 4 0 43 312.785 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 309 - 311 KeyOrganics

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Rings

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

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