Molecule

ID:22422

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀FNO
Molecular Mass
227.2337032
Exact Mass
227.07464217
Charge
0
InChI
InChI=1S/C14H10FNO/c15-13-7-4-8-14(12(13)9-16)17-10-11-5-2-1-3-6-11/h1-8H,10H2
InChIKey
ITKHCBLEEGSDOF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cccc1F)OCc1ccccc1
Isomeric Smiles
C(#N)c1c(cccc1F)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5388458
LogD (pH = 7.4)
3.5388458
Log P
3.5388458
Molar Refractivity
63.0718
Polarizability
23.918718
Polar Surface Area
33.02
Rotatable Bonds
3
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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