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4-[2-(4-fluorophenyl)piperidine-1-carbonyl]pyridazine

ChemBase ID: 320742
Molecular Formular: C16H16FN3O
Molecular Mass: 285.3161432
Monoisotopic Mass: 285.12774037
SMILES and InChIs

SMILES:
N1(C(=O)c2cnncc2)C(c2ccc(cc2)F)CCCC1
Canonical SMILES:
Fc1ccc(cc1)C1CCCCN1C(=O)c1ccnnc1
InChI:
InChI=1S/C16H16FN3O/c17-14-6-4-12(5-7-14)15-3-1-2-10-20(15)16(21)13-8-9-18-19-11-13/h4-9,11,15H,1-3,10H2
InChIKey:
YVQYMURLFGVWMQ-UHFFFAOYSA-N

Cite this record

CBID:320742 http://www.chembase.cn/molecule-320742.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(4-fluorophenyl)piperidine-1-carbonyl]pyridazine
IUPAC Traditional name
4-[2-(4-fluorophenyl)piperidine-1-carbonyl]pyridazine
Synonyms
4-{[2-(4-fluorophenyl)-1-piperidinyl]carbonyl}pyridazine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11047971 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.8510977  LogD (pH = 7.4) 1.851104 
Log P 1.8511041  Molar Refractivity 79.2774 cm3
Polarizability 29.125288 Å3 Polar Surface Area 46.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.88  LOG S -2.6 
Polar Surface Area 46.09 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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