Molecule

ID:118038

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇FN₂
Molecular Mass
232.2965832
Exact Mass
232.13757677
Charge
0
InChI
InChI=1S/C14H17FN2/c1-9-4-5-13(7-14(9)15)17-10(2)6-12(8-16)11(17)3/h4-7H,8,16H2,1-3H3
InChIKey
NTEQAOGVUWNMRD-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(n(c1C)c1ccc(c(c1)F)C)C
Isomeric Smiles
n1(c(cc(c1C)CN)C)c1cc(c(cc1)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0349634
LogD (pH = 7.4)
0.17962973
Log P
2.3147
Molar Refractivity
79.8408
Polarizability
26.62096
Polar Surface Area
30.95
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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