Molecule

ID:13549

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₂O₂
Molecular Mass
238.32598
Exact Mass
238.16812795
Charge
0
InChI
InChI=1S/C13H22N2O2/c1-15(2)8-7-14-10-11-5-6-12(16-3)13(9-11)17-4/h5-6,9,14H,7-8,10H2,1-4H3
InChIKey
CISCZWBNIQPITJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNCCN(C)C)ccc1OC
Isomeric Smiles
c1c(c(cc(c1)CNCCN(C)C)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.0484626
LogD (pH = 7.4)
-0.6132916
Log P
1.2348967
Molar Refractivity
70.2515
Polarizability
27.625246
Polar Surface Area
33.73
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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