Molecule

ID:101287

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-14-6-8-15(9-7-14)10-12-4-2-3-5-13(12)11-16/h2-5,16H,6-11H2,1H3
InChIKey
YMIQIKXOOKKAKI-UHFFFAOYSA-N
Canonic Smiles
OCc1ccccc1CN1CCN(CC1)C
Isomeric Smiles
N1(Cc2c(CO)cccc2)CCN(CC1)C
Calculated Properties
JChem
Acid pKa
14.946132
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7389381
LogD (pH = 7.4)
0.032519054
Log P
0.9944124
Molar Refractivity
67.4667
Polarizability
26.169975
Polar Surface Area
26.71
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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