UCSF

ZINC33842018

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 11 No

Popular Name: [(E)-3-chloroallyloxy]benzene [(E)-3-chloroallyloxy]benzene

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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) 2.78 5.91 -3.85 0 1 0 9 168.623 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5215570 IBM Patent Data

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