Molecule

ID:19478

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂FN
Molecular Mass
201.2394832
Exact Mass
201.09537761
Charge
0
InChI
InChI=1S/C13H12FN/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15/h1-8H,9,15H2
InChIKey
MLXCERLVQPYBIA-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1c1ccc(cc1)F
Isomeric Smiles
c1(c2ccc(cc2)F)c(CN)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.11395702
LogD (pH = 7.4)
0.6815093
Log P
2.8889415
Molar Refractivity
59.884
Polarizability
24.344296
Polar Surface Area
26.02
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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