Molecule

ID:13238

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O
Molecular Mass
228.28964
Exact Mass
228.12626314
Charge
0
InChI
InChI=1S/C14H16N2O/c1-17-14-7-5-12(6-8-14)10-15-11-13-4-2-3-9-16-13/h2-9,15H,10-11H2,1H3
InChIKey
XSWSTFNTFFKSLS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1ccccn1
Isomeric Smiles
c1c(ccc(c1)CNCc1ncccc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.315038
LogD (pH = 7.4)
1.3991419
Log P
1.962196
Molar Refractivity
67.7027
Polarizability
26.765974
Polar Surface Area
34.15
Rotatable Bonds
5
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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