UCSF

ZINC36805597

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 Yes

Popular Name: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)benzonitrile 4-(3,5-dimethyl-1H-pyrazol-1-yl)…

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CAS Number: 1152574-17-8

Other Names:

MFCD12557247

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) 2.89 7.9 -10.86 0 3 0 42 265.238 2 ↓

Vendor Notes

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

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