Molecule

ID:17729

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2
InChIKey
RFFVEVKGZGRRCP-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)N1CCOCC1
Isomeric Smiles
c1(C(=O)N2CCOCC2)cc(ccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.22160111
LogD (pH = 7.4)
0.22378394
Log P
0.22381184
Molar Refractivity
58.7047
Polarizability
21.640812
Polar Surface Area
55.56
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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