UCSF

ZINC12359871

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 15 Yes

Popular Name: 3-(piperidin-4-yloxy)benzonitrile 3-(piperidin-4-yloxy)benzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 459819-37-5 , 950649-07-7

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) 0.82 5.27 -48.86 2 3 1 50 203.265 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 52 - 54 Enamine Building Blocks
MP 52...54 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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