Molecule

ID:34263

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄FNO
Molecular Mass
195.2333632
Exact Mass
195.10594229
Charge
0
InChI
InChI=1S/C11H14FNO/c12-9-1-3-10(4-2-9)13-11-5-7-14-8-6-11/h1-4,11,13H,5-8H2
InChIKey
SPKGJBMEUWFXJD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NC1CCOCC1
Isomeric Smiles
N(c1ccc(F)cc1)C1CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4436686
LogD (pH = 7.4)
1.5483981
Log P
1.549912
Molar Refractivity
54.9437
Polarizability
20.303892
Polar Surface Area
21.26
Rotatable Bonds
2
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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