Molecule

ID:122366

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-14-9-2-3-11(10(12)8-9)13-4-6-15-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKey
BECJQIPSWDVBPG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)N)N1CCOCC1
Isomeric Smiles
c1(N2CCOCC2)c(cc(cc1)OC)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.87206316
LogD (pH = 7.4)
0.87613976
Log P
0.876192
Molar Refractivity
60.7247
Polarizability
22.457853
Polar Surface Area
47.72
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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