Molecule

ID:20413

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆FNO₃
Molecular Mass
229.2480432
Exact Mass
229.1114216
Charge
0
InChI
InChI=1S/C11H16FNO3/c1-14-4-5-15-6-7-16-11-3-2-9(13)8-10(11)12/h2-3,8H,4-7,13H2,1H3
InChIKey
PJWHLVSQOMUGQP-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOc1ccc(cc1F)N
Isomeric Smiles
c1(cc(N)ccc1OCCOCCOC)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.021695
LogD (pH = 7.4)
1.0352242
Log P
1.0353996
Molar Refractivity
59.525
Polarizability
22.463316
Polar Surface Area
53.71
Rotatable Bonds
7
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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