UCSF

ZINC05115788

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 11 Yes

Popular Name: 5-Methoxy-1H-benzotriazole 5-Methoxy-1H-benzotriazole

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CAS Number: 27799-91-3

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) 1.32 0.96 -7.08 1 4 0 51 149.153 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0173584A2; EP0174177A2; EP0186494A2; EP0220746A2; EP0220746B1; EP0358165A2; EP0393721A2; EP0393721B1; EP0397450A1; EP0397450B1; EP0397455A1; EP0516372B1; EP0523721A1; EP0523721B1; EP0608131A1; EP0608131B1; EP0608132A1; EP0608132B1; EP0659848A3; EP070475 IBM Patent Data
PUBCHEM_PATENT_ID EP0274844A1; EP0274844B1 IBM Patent Data
PUBCHEM_PATENT_ID US4950764 IBM Patent Data

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