Molecule

ID:23303

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇FN₂O
Molecular Mass
224.2745832
Exact Mass
224.13249139
Charge
0
InChI
InChI=1S/C12H17FN2O/c1-2-3-4-5-12(16)15-11-8-9(14)6-7-10(11)13/h6-8H,2-5,14H2,1H3,(H,15,16)
InChIKey
ZWLJIXMVXOOHSC-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=O)Nc1cc(N)ccc1F
Isomeric Smiles
c1(NC(=O)CCCCC)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.908439
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.5536976
LogD (pH = 7.4)
2.5588944
Log P
2.558974
Molar Refractivity
64.2677
Polarizability
23.383142
Polar Surface Area
55.12
Rotatable Bonds
5
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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