Molecule

ID:122370

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₂O
Molecular Mass
222.32658
Exact Mass
222.17321333
Charge
0
InChI
InChI=1S/C13H22N2O/c1-15(2)13-7-5-12(6-8-13)11-14-9-4-10-16-3/h5-8,14H,4,9-11H2,1-3H3
InChIKey
JUEOVFLNGAZQSX-UHFFFAOYSA-N
Canonic Smiles
COCCCNCc1ccc(cc1)N(C)C
Isomeric Smiles
c1(N(C)C)ccc(cc1)CNCCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.59552
LogD (pH = 7.4)
-0.71565276
Log P
1.6526227
Molar Refractivity
69.6435
Polarizability
26.58989
Polar Surface Area
24.5
Rotatable Bonds
7
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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