Molecule

ID:34531

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉FN₂
Molecular Mass
222.3017632
Exact Mass
222.15322684
Charge
0
InChI
InChI=1S/C13H19FN2/c14-13-3-1-12(2-4-13)10-16-7-5-11(9-15)6-8-16/h1-4,11H,5-10,15H2
InChIKey
AHUXENJTFOMIKS-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)Cc1ccc(cc1)F
Isomeric Smiles
c1(ccc(cc1)CN1CCC(CC1)CN)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.2735176
LogD (pH = 7.4)
-2.137739
Log P
1.7291231
Molar Refractivity
65.0169
Polarizability
25.189037
Polar Surface Area
29.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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