UCSF

ZINC12397685

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 12 Yes

Popular Name: 2-(1H-1,2,4-triazol-1-yl)aniline 2-(1H-1,2,4-triazol-1-yl)aniline

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CAS Numbers: 39876-84-1 , 39876-86-3

Other Names:

MFCD08699291

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) 0.38 5.42 -6.84 2 4 0 57 160.18 1 ↓

Vendor Notes

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

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