Molecule

ID:116753

General Information
Structure
Molecular Formula
C₁₆H₁₄FN
Molecular Mass
239.2874632
Exact Mass
239.11102767
Charge
0
InChI
InChI=1S/C16H14FN/c1-12-10-14-4-2-3-5-16(14)18(12)11-13-6-8-15(17)9-7-13/h2-10H,11H2,1H3
InChIKey
MZJWCQYZGGMJOR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Cn1c(C)cc2c1cccc2
Isomeric Smiles
n1(c(cc2c1cccc2)C)Cc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.36242
LogD (pH = 7.4)
4.36242
Log P
4.36242
Molar Refractivity
72.0199
Polarizability
28.340328
Polar Surface Area
4.93
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
No Data Available
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Molecule Details
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References
Bioactivity
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