Molecule

ID:47859

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃FN₂
Molecular Mass
228.2648232
Exact Mass
228.10627665
Charge
0
InChI
InChI=1S/C14H13FN2/c15-12-9-11(16)5-6-14(12)17-8-7-10-3-1-2-4-13(10)17/h1-6,9H,7-8,16H2
InChIKey
CABWRBKWBIRRJR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)N1CCc2c1cccc2
Isomeric Smiles
N1(c2c(cc(cc2)N)F)c2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.962425
LogD (pH = 7.4)
2.9901469
Log P
2.9905121
Molar Refractivity
67.6673
Polarizability
24.721977
Polar Surface Area
29.26
Rotatable Bonds
1
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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