UCSF

ZINC00394173

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 Yes

Popular Name: ethyl 3-(acetylamino)-4-hydroxybenzoate ethyl 3-(acetylamino)-4-hydroxyb…

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CAS Number: 164408-49-5

Other Names:

MFCD00085927

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) 1.41 2.25 -14.75 2 5 0 76 223.228 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0436938B1; EP0451526B1 IBM Patent Data

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