Molecule

ID:24290

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-2-15-11(14)5-7-13-9-10-4-3-6-12-8-10/h3-4,6,8,13H,2,5,7,9H2,1H3
InChIKey
PASHPBRYVXNGTI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCNCc1cccnc1
Isomeric Smiles
C(=O)(CCNCc1cnccc1)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3485768
LogD (pH = 7.4)
-0.7139339
Log P
0.53162026
Molar Refractivity
57.4508
Polarizability
22.765865
Polar Surface Area
51.22
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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