Molecule

ID:30775

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄FNO
Molecular Mass
195.2333632
Exact Mass
195.10594229
Charge
0
InChI
InChI=1S/C11H14FNO/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKey
MGLFLCJKTMPKSG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1OC1CCNCC1
Isomeric Smiles
c1(OC2CCNCC2)c(F)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.605364
LogD (pH = 7.4)
-0.76104414
Log P
1.6020347
Molar Refractivity
52.894
Polarizability
20.665693
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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