UCSF

ZINC36203748

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 11 Yes

Popular Name: 3-(3-Chlorophenyl)propionitrile 3-(3-Chlorophenyl)propionitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21640-47-1 , [21640-47-1]

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) 2.48 6.96 -7.27 0 1 0 24 165.623 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0648220A1; US5721350; WO1993025566A1 IBM Patent Data

Activity (Go SEA)

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