Molecule

ID:50183

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄FN
Molecular Mass
179.2339632
Exact Mass
179.11102767
Charge
0
InChI
InChI=1S/C11H14FN/c12-11-3-1-2-9(7-11)6-10-4-5-13-8-10/h1-3,7,10,13H,4-6,8H2
InChIKey
NCVRSFIRKVTHDU-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)CC1CNCC1
Isomeric Smiles
N1CC(Cc2cc(F)ccc2)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.94129586
LogD (pH = 7.4)
-0.8217045
Log P
2.2989664
Molar Refractivity
51.6184
Polarizability
19.90367
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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