UCSF

ZINC02027091

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 11 Yes

Popular Name: 3-phenyl-1H-1,2,4-triazole 3-phenyl-1H-1,2,4-triazole

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CAS Number: 3357-42-4

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) 1.51 5.37 -9.22 1 3 0 42 145.165 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 117 - 119 Enamine Building Blocks
MP 117...119 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0728145A1; EP0821670A1; US5780498; US5977075; WO1996033170A1 IBM Patent Data

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