Molecule

ID:19951

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉FN₂O
Molecular Mass
226.2904632
Exact Mass
226.14814146
Charge
0
InChI
InChI=1S/C12H19FN2O/c1-3-15(4-2)7-8-16-12-6-5-10(13)9-11(12)14/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKey
KEBQDLZWZTXBHH-UHFFFAOYSA-N
Canonic Smiles
CCN(CCOc1ccc(cc1N)F)CC
Isomeric Smiles
c1(cc(ccc1OCCN(CC)CC)F)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4845307
LogD (pH = 7.4)
-0.09174945
Log P
1.861611
Molar Refractivity
64.9543
Polarizability
24.376673
Polar Surface Area
38.49
Rotatable Bonds
6
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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