UCSF

ZINC22054872

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 No

Popular Name: (R)-3-Chloro-1-phenyl-1-(2-methylphenoxy)propane (R)-3-Chloro-1-phenyl-1-(2-methy…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 114446-47-8 , 114446-50-3

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) 4.85 10.29 -4.39 0 1 0 9 260.764 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4868344; US4918207; US4918242 IBM Patent Data
PUBCHEM_PATENT_ID US4950791 IBM Patent Data

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