Molecule

ID:17993

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈FNO
Molecular Mass
283.3400232
Exact Mass
283.13724242
Charge
0
InChI
InChI=1S/C18H18FNO/c19-13-8-9-16-15(11-13)18-14(7-4-10-21-18)17(20-16)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,14,17-18,20H,4,7,10H2
InChIKey
FTARFUAQODEMLY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)C1OCCCC1C(N2)c1ccccc1
Isomeric Smiles
N1C(C2C(c3c1ccc(c3)F)OCCC2)c1ccccc1
Calculated Properties
JChem
Acid pKa
18.181932
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6464474
LogD (pH = 7.4)
3.6472933
Log P
3.647304
Molar Refractivity
82.1705
Polarizability
30.984999
Polar Surface Area
21.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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