Molecule

ID:17558

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇FN₂
Molecular Mass
208.2751832
Exact Mass
208.13757677
Charge
0
InChI
InChI=1S/C12H17FN2/c13-12-4-1-3-11(9-12)10-15-7-2-5-14-6-8-15/h1,3-4,9,14H,2,5-8,10H2
InChIKey
GUVOCHQLYVTSTO-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)CN1CCNCCC1
Isomeric Smiles
c1(CN2CCCNCC2)cc(ccc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6484911
LogD (pH = 7.4)
-0.9996126
Log P
1.581376
Molar Refractivity
60.4379
Polarizability
23.346258
Polar Surface Area
15.27
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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