Molecule

ID:75873

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₂O
Molecular Mass
222.32658
Exact Mass
222.17321333
Charge
0
InChI
InChI=1S/C13H22N2O/c1-14-11-12-7-4-5-8-13(12)16-10-6-9-15(2)3/h4-5,7-8,14H,6,9-11H2,1-3H3
InChIKey
PSLNWMDOKBMVNV-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccc1OCCCN(C)C
Isomeric Smiles
O(c1c(cccc1)CNC)CCCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.9260836
LogD (pH = 7.4)
-2.0509903
Log P
1.4525276
Molar Refractivity
68.6537
Polarizability
26.972315
Polar Surface Area
24.5
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
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Molecule Details
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References
Bioactivity
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