Molecule

ID:28767

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀FNO₂
Molecular Mass
301.3553032
Exact Mass
301.14780711
Charge
0
InChI
InChI=1S/C18H20FNO2/c19-16-8-2-1-6-14(16)12-20-17-9-3-4-10-18(17)22-13-15-7-5-11-21-15/h1-4,6,8-10,15,20H,5,7,11-13H2
InChIKey
LOQDGIAREBUWQX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CNc1ccccc1OCC1CCCO1
Isomeric Smiles
N(Cc1c(F)cccc1)c1c(OCC2OCCC2)cccc1
Calculated Properties
JChem
Acid pKa
18.775747
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5559006
LogD (pH = 7.4)
3.5738826
Log P
3.5741167
Molar Refractivity
85.7987
Polarizability
32.400658
Polar Surface Area
30.49
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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