UCSF

ZINC02530741

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 Yes

Popular Name: Cyclopentanone-2-carbonitrile Cyclopentanone-2-carbonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1823182-48-4 , 2941-29-9 , [2941-29-9]

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) 0.55 3.54 -8 0 2 0 41 109.128 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant-Harmful/Refrigerate Matrix Scientific

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