UCSF

ZINC12480747

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 14 No

Popular Name: 5-(3-Nitrophenyl)-1H-1,2,4-triazole 5-(3-Nitrophenyl)-1H-1,2,4-triazole

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CAS Number: 6219-53-0

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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) 1.44 6.07 -12.47 1 6 0 87 190.162 2 ↓
Ref Reference (pH 7) 1.44 6.01 -12.42 1 6 0 87 190.162 2 ↓
Hi High (pH 8-9.5) 1.44 5.88 -40.55 0 6 -1 86 189.154 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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