Molecule

ID:50266

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FN₂O
Molecular Mass
208.2321232
Exact Mass
208.10119127
Charge
0
InChI
InChI=1S/C11H13FN2O/c12-10-3-1-9(2-4-10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChIKey
OITKVXMAEXNRRK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)F)N1CCNCC1
Isomeric Smiles
C(=O)(N1CCNCC1)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3959996
LogD (pH = 7.4)
0.3178907
Log P
0.8780118
Molar Refractivity
55.9016
Polarizability
21.00409
Polar Surface Area
32.34
Rotatable Bonds
1
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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