Molecule

ID:39907

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈FN
Molecular Mass
197.2077232
Exact Mass
197.06407748
Charge
0
InChI
InChI=1S/C13H8FN/c14-13-8-11(6-7-12(13)9-15)10-4-2-1-3-5-10/h1-8H
InChIKey
GORYKZHNAWEFBP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1F)c1ccccc1
Isomeric Smiles
c1(c(cc(cc1)c1ccccc1)F)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6192694
LogD (pH = 7.4)
3.6192694
Log P
3.6192694
Molar Refractivity
57.1322
Polarizability
22.782537
Polar Surface Area
23.79
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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