Molecule

ID:42882

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKey
BQTMHUUWYHEPNQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1N)N1CCOCC1
Isomeric Smiles
N1(c2cc(c(cc2)N)OC)CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.4137834
LogD (pH = 7.4)
0.8658157
Log P
0.876192
Molar Refractivity
60.7247
Polarizability
22.458265
Polar Surface Area
47.72
Rotatable Bonds
2
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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