UCSF

ZINC12395399

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 13 Yes

Popular Name: 3-fluoro-4-(1H-1,2,4-triazol-1-yl)aniline 3-fluoro-4-(1H-1,2,4-triazol-1-y…

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CAS Number: 181997-13-7

Other Names:

MFCD08699587

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) 0.11 5.06 -12.21 2 4 0 57 178.17 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 126 - 128 Enamine Building Blocks
MP 126...128 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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