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3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyridin-2-ol

ChemBase ID: 470085
Molecular Formular: C17H18N2O3
Molecular Mass: 298.33642
Monoisotopic Mass: 298.13174245
SMILES and InChIs

SMILES:
N1(C(=O)c2c(nccc2)O)CC(C1)Oc1c(CC)cccc1
Canonical SMILES:
CCc1ccccc1OC1CN(C1)C(=O)c1cccnc1O
InChI:
InChI=1S/C17H18N2O3/c1-2-12-6-3-4-8-15(12)22-13-10-19(11-13)17(21)14-7-5-9-18-16(14)20/h3-9,13H,2,10-11H2,1H3,(H,18,20)
InChIKey:
BVYRVOIISVOHIC-UHFFFAOYSA-N

Cite this record

CBID:470085 http://www.chembase.cn/molecule-470085.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyridin-2-ol
IUPAC Traditional name
3-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyridin-2-ol
Synonyms
3-{[3-(2-ethylphenoxy)-1-azetidinyl]carbonyl}-2-pyridinol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.013773  H Acceptors
H Donor LogD (pH = 5.5) 3.484708 
LogD (pH = 7.4) 3.4836988  Log P 3.4847398 
Molar Refractivity 82.9629 cm3 Polarizability 31.554304 Å3
Polar Surface Area 62.66 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.92  LOG S -2.16 
Polar Surface Area 62.66 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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