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479683-64-2 molecular structure
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2-[(3-chlorophenyl)methoxy]-6-(piperazin-1-yl)pyrazine

ChemBase ID: 126733
Molecular Formular: C15H17ClN4O
Molecular Mass: 304.77468
Monoisotopic Mass: 304.10908886
SMILES and InChIs

SMILES:
C1CNCCN1c1nc(cnc1)OCc1cc(ccc1)Cl
Canonical SMILES:
Clc1cccc(c1)COc1cncc(n1)N1CCNCC1
InChI:
InChI=1S/C15H17ClN4O/c16-13-3-1-2-12(8-13)11-21-15-10-18-9-14(19-15)20-6-4-17-5-7-20/h1-3,8-10,17H,4-7,11H2
InChIKey:
PCWGGOVOEWHPMG-UHFFFAOYSA-N

Cite this record

CBID:126733 http://www.chembase.cn/molecule-126733.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(3-chlorophenyl)methoxy]-6-(piperazin-1-yl)pyrazine
IUPAC Traditional name
2-[(3-chlorophenyl)methoxy]-6-(piperazin-1-yl)pyrazine
Synonyms
CP-809,101
CAS Number
479683-64-2
PubChem SID
162221061
PubChem CID
9901086
Wikipedia Title
CP-809,101

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.46373162  LogD (pH = 7.4) 1.1283561 
Log P 2.469778  Molar Refractivity 83.4358 cm3
Polarizability 31.824081 Å3 Polar Surface Area 50.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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