UCSF

ZINC20030825

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 11 Yes

Popular Name: (S)-1-(4-Cyanophenyl)ethanol (S)-1-(4-Cyanophenyl)ethanol

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CAS Numbers: 101219-71-0 , 52067-35-3 , [101219-71-0]

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) 1.26 3.03 -6.71 1 2 0 44 147.177 1 ↓

Vendor Notes

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

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