Molecule

ID:50270

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂F₂N₂O
Molecular Mass
226.2225864
Exact Mass
226.09176945
Charge
0
InChI
InChI=1S/C11H12F2N2O/c12-9-5-8(6-10(13)7-9)11(16)15-3-1-14-2-4-15/h5-7,14H,1-4H2
InChIKey
VAPNINRCIQNTDD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(F)cc(c1)F)N1CCNCC1
Isomeric Smiles
C(=O)(c1cc(cc(c1)F)F)N1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2532976
LogD (pH = 7.4)
0.46059266
Log P
1.0207138
Molar Refractivity
56.118
Polarizability
20.765167
Polar Surface Area
32.34
Rotatable Bonds
1
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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