UCSF

ZINC01631228

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 No

Popular Name: nonyl acetate nonyl acetate

Find On: PubMed — Wikipedia — Google

CAS Number: 143-13-5

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) 4.35 8.57 -4.77 0 2 0 26 186.295 9 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.849 Bitter DB
PUBCHEM_PATENT_ID WO1995029892A1 IBM Patent Data

Activity (Go SEA)

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