UCSF

ZINC00140746

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 11 Yes

Popular Name: octahydroquinolin-4(1H)-one octahydroquinolin-4(1H)-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4629-75-8 , 58869-89-9 , 90942-66-8

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) 1.17 3.9 -46.43 2 2 1 34 154.233 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 47-49° Matrix Scientific
Purity 97% Matrix Scientific
PUBCHEM_PATENT_ID EP0026168A1; EP0169186A1; US4173636; US4332805; US4663330 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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