Molecule

ID:45452

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃FN₂O
Molecular Mass
196.2214232
Exact Mass
196.10119127
Charge
0
InChI
InChI=1S/C10H13FN2O/c1-6(2)10(14)13-9-5-7(12)3-4-8(9)11/h3-6H,12H2,1-2H3,(H,13,14)
InChIKey
HVYCJIRHRUICEK-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)Nc1cc(N)ccc1F)C
Isomeric Smiles
N(C(=O)C(C)C)c1cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.828019
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7629868
LogD (pH = 7.4)
1.7681721
Log P
1.7682543
Molar Refractivity
55.0392
Polarizability
19.717222
Polar Surface Area
55.12
Rotatable Bonds
2
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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