Molecule

ID:35457

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c14-11(13-5-1-2-6-13)9-12-8-10-4-3-7-15-10/h3-4,7,12H,1-2,5-6,8-9H2
InChIKey
KWIGBBBQAZUEQO-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC1)CNCc1ccco1
Isomeric Smiles
N1(C(=O)CNCc2occc2)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.447596
LogD (pH = 7.4)
-0.04759298
Log P
0.11603158
Molar Refractivity
56.9381
Polarizability
22.096323
Polar Surface Area
45.48
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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