Molecule

ID:63233

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c14-11(13-10-6-12-7-10)15-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
InChIKey
UWOOBFRZDNDUQB-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1CNC1)OCc1ccccc1
Isomeric Smiles
C(=O)(NC1CNC1)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.308483
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.0278862
LogD (pH = 7.4)
-0.6500888
Log P
1.0609907
Molar Refractivity
56.0244
Polarizability
22.230495
Polar Surface Area
50.36
Rotatable Bonds
4
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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