UCSF

ZINC02641108

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 14 Yes

Popular Name: 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylic acid 1-ethyl-1H-1,2,3-benzotriazole-5…

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CAS Number: 691363-31-2

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) 1.62 4.37 -48.15 0 5 -1 71 190.182 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 228 - 230 Enamine Building Blocks
MP 228...230 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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