Molecule

ID:13550

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇FN₂
Molecular Mass
196.2644832
Exact Mass
196.13757677
Charge
0
InChI
InChI=1S/C11H17FN2/c1-14(2)8-7-13-9-10-5-3-4-6-11(10)12/h3-6,13H,7-9H2,1-2H3
InChIKey
HTBXSNPURUNNNU-UHFFFAOYSA-N
Canonic Smiles
CN(CCNCc1ccccc1F)C
Isomeric Smiles
c1ccc(c(c1)CNCCN(C)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4848154
LogD (pH = 7.4)
0.14114326
Log P
1.6929411
Molar Refractivity
57.5415
Polarizability
22.233902
Polar Surface Area
15.27
Rotatable Bonds
5
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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