Molecule

ID:50182

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄FN
Molecular Mass
179.2339632
Exact Mass
179.11102767
Charge
0
InChI
InChI=1S/C11H14FN/c12-11-4-2-1-3-10(11)7-9-5-6-13-8-9/h1-4,9,13H,5-8H2
InChIKey
QOURVRXOUYVMGM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1CC1CNCC1
Isomeric Smiles
c1(CC2CNCC2)c(F)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9410549
LogD (pH = 7.4)
-0.80741113
Log P
2.2989664
Molar Refractivity
51.6184
Polarizability
19.90505
Polar Surface Area
12.03
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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