Molecule

ID:18113

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c14-10-11-2-1-3-13(11)5-4-12-6-8-15-9-7-12/h1-3,10H,4-9H2
InChIKey
NBOGVHMDHFRKEC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1CCN1CCOCC1
Isomeric Smiles
n1(c(ccc1)C=O)CCN1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.10033414
LogD (pH = 7.4)
0.68056893
Log P
0.7094535
Molar Refractivity
59.2686
Polarizability
22.39711
Polar Surface Area
34.47
Rotatable Bonds
4
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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