UCSF

ZINC34435461

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 13 Yes

Popular Name: 2-ethyl-1,4-dihydroquinolin-4-one 2-ethyl-1,4-dihydroquinolin-4-one

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CAS Number: 109072-25-5

Other Names:

MFCD12114553

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) 1.67 5.63 -13.93 1 2 0 33 173.215 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 174 - 176 Enamine Building Blocks
MP 174...176 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0412848A2; EP0412848B1; EP0470794A1; EP0470794B1; EP0470795A1; EP0470795B1; EP0495626A1; EP0495627A1; EP0495948A1; US5130318; US5198439; US5245035; US5281613; US5294716; US5373015; US5387592; US5420292; US5444071; WO1992002508A1; WO2000001389A1 IBM Patent Data

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