Molecule

ID:118321

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈FN₃
Molecular Mass
223.2898232
Exact Mass
223.14847581
Charge
0
InChI
InChI=1S/C12H18FN3/c13-11-3-1-2-4-12(11)16-9-7-15(6-5-14)8-10-16/h1-4H,5-10,14H2
InChIKey
GUSURUIQFOWUNJ-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)c1ccccc1F
Isomeric Smiles
N1(c2c(F)cccc2)CCN(CC1)CCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8447806
LogD (pH = 7.4)
-0.66962683
Log P
1.2741274
Molar Refractivity
64.7029
Polarizability
24.49181
Polar Surface Area
32.5
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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