UCSF

ZINC40448099

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 14 Yes

Popular Name: 1-(3-Methoxyphenyl)cyclobutanecarbonitrile 1-(3-Methoxyphenyl)cyclobutaneca…

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CAS Numbers: 74205-15-5 , [74205-15-5]

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) 2.47 6.52 -7.26 0 2 0 33 187.242 2 ↓

Vendor Notes

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

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