UCSF

ZINC05394751

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 17 No

Popular Name: 3-nitro-4-piperidin-1-ylbenzonitrile 3-nitro-4-piperidin-1-ylbenzonit…

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CAS Numbers: , 32117-03-6

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) 2.59 2.57 -9.8 0 5 0 72 231.255 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )