Molecule

ID:23243

General Information
Structure
Molecular Formula
C₁₀H₁₃FN₂O
Molecular Mass
196.2214232
Exact Mass
196.10119127
Charge
0
InChI
InChI=1S/C10H13FN2O/c1-2-3-10(14)13-9-6-7(12)4-5-8(9)11/h4-6H,2-3,12H2,1H3,(H,13,14)
InChIKey
XJDDQFHKPOHZBN-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)Nc1cc(N)ccc1F
Isomeric Smiles
c1(NC(=O)CCC)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.9087105
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6645602
LogD (pH = 7.4)
1.669757
Log P
1.6698366
Molar Refractivity
55.0657
Polarizability
19.717241
Polar Surface Area
55.12
Rotatable Bonds
3
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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