Molecule

ID:118011

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇FN₂
Molecular Mass
232.2965832
Exact Mass
232.13757677
Charge
0
InChI
InChI=1S/C14H17FN2/c1-10-7-13(8-16)11(2)17(10)9-12-3-5-14(15)6-4-12/h3-7H,8-9,16H2,1-2H3
InChIKey
NFLAGPAABMDFBN-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(n(c1C)Cc1ccc(cc1)F)C
Isomeric Smiles
n1(c(c(cc1C)CN)C)Cc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.32749772
LogD (pH = 7.4)
0.5371534
Log P
2.668872
Molar Refractivity
69.3153
Polarizability
25.929108
Polar Surface Area
30.95
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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