Molecule

ID:116420

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂F₂N₂O
Molecular Mass
226.2225864
Exact Mass
226.09176945
Charge
0
InChI
InChI=1S/C11H12F2N2O/c12-9-2-1-3-10(13)8(9)6-15-5-7(14)4-11(15)16/h1-3,7H,4-6,14H2
InChIKey
AKPDJEPRKHDIBX-UHFFFAOYSA-N
Canonic Smiles
NC1CN(C(=O)C1)Cc1c(F)cccc1F
Isomeric Smiles
N1(C(=O)CC(C1)N)Cc1c(F)cccc1F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3248851
LogD (pH = 7.4)
-1.1779621
Log P
0.6280658
Molar Refractivity
55.065
Polarizability
20.963795
Polar Surface Area
46.33
Rotatable Bonds
2
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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