Molecule

ID:13196

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FN
Molecular Mass
215.2660632
Exact Mass
215.11102767
Charge
0
InChI
InChI=1S/C14H14FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKey
SXZSRGKJZKOZRP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNCc1ccccc1
Isomeric Smiles
c1cccc(c1)CNCc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.37606406
LogD (pH = 7.4)
1.870142
Log P
3.3987696
Molar Refractivity
64.135
Polarizability
24.788967
Polar Surface Area
12.03
Rotatable Bonds
4
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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