Molecule

ID:29467

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈FNO
Molecular Mass
259.3186232
Exact Mass
259.13724242
Charge
0
InChI
InChI=1S/C16H18FNO/c1-2-10-19-15-8-5-7-14(11-15)18-12-13-6-3-4-9-16(13)17/h3-9,11,18H,2,10,12H2,1H3
InChIKey
PQGCWBKPWKIZQQ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cccc(c1)NCc1ccccc1F
Isomeric Smiles
c1(CNc2cc(OCCC)ccc2)c(F)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.031677
LogD (pH = 7.4)
4.0348177
Log P
4.034858
Molar Refractivity
76.8166
Polarizability
28.749723
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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