UCSF

ZINC01695497

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 17 No

Popular Name: 4-AMYLOXYCINNAMIC ACID 4-AMYLOXYCINNAMIC ACID

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CAS Numbers: 108113-57-1 , 62718-63-2

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) 3.91 1.43 -50.11 0 3 -1 49 233.287 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4978523 IBM Patent Data

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