Molecule

ID:19418

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂FN
Molecular Mass
201.2394832
Exact Mass
201.09537761
Charge
0
InChI
InChI=1S/C13H12FN/c1-9-8-10(15)6-7-11(9)12-4-2-3-5-13(12)14/h2-8H,15H2,1H3
InChIKey
YRVOMTVGGNCULK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)c1ccccc1F
Isomeric Smiles
c1(c2c(F)cccc2)c(cc(cc1)N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.437619
LogD (pH = 7.4)
3.4475405
Log P
3.4476686
Molar Refractivity
61.1522
Polarizability
23.863754
Polar Surface Area
26.02
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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