Molecule

ID:75870

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₂O
Molecular Mass
222.32658
Exact Mass
222.17321333
Charge
0
InChI
InChI=1S/C13H22N2O/c1-14-11-12-5-7-13(8-6-12)16-10-4-9-15(2)3/h5-8,14H,4,9-11H2,1-3H3
InChIKey
LFLFEMOINFHORX-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(cc1)OCCCN(C)C
Isomeric Smiles
O(c1ccc(cc1)CNC)CCCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.041929
LogD (pH = 7.4)
-2.559805
Log P
1.4525276
Molar Refractivity
68.6537
Polarizability
26.972067
Polar Surface Area
24.5
Rotatable Bonds
7
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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