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127126-22-1 molecular structure
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7-(dipropylamino)-4-fluoro-5,6,7,8-tetrahydronaphthalen-1-ol

ChemBase ID: 130074
Molecular Formular: C16H24FNO
Molecular Mass: 265.3662632
Monoisotopic Mass: 265.18419261
SMILES and InChIs

SMILES:
C1Cc2c(c(O)ccc2F)CC1N(CCC)CCC
Canonical SMILES:
CCCN(C1CCc2c(C1)c(O)ccc2F)CCC
InChI:
InChI=1S/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17/h7-8,12,19H,3-6,9-11H2,1-2H3
InChIKey:
FNKBVTBXFLSTPB-UHFFFAOYSA-N

Cite this record

CBID:130074 http://www.chembase.cn/molecule-130074.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-(dipropylamino)-4-fluoro-5,6,7,8-tetrahydronaphthalen-1-ol
IUPAC Traditional name
C16H24fno
Synonyms
UH-301
CAS Number
127126-22-1
PubChem SID
162224359
PubChem CID
5122
IUPHAR ligand ID
61
Wikipedia Title
UH-301

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Wikipedia UH-301 external link
PubChem 5122 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.230849  H Acceptors
H Donor LogD (pH = 5.5) 0.88483137 
LogD (pH = 7.4) 1.7850226  Log P 3.3838081 
Molar Refractivity 77.679 cm3 Polarizability 29.639385 Å3
Polar Surface Area 23.47 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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INTERNET

INTERNET

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