Molecule

ID:13222

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O
Molecular Mass
242.31622
Exact Mass
242.14191321
Charge
0
InChI
InChI=1S/C15H18N2O/c1-2-18-15-8-4-3-7-14(15)12-17-11-13-6-5-9-16-10-13/h3-10,17H,2,11-12H2,1H3
InChIKey
RYNAEXNJGSTGIL-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1CNCc1cccnc1
Isomeric Smiles
c1cncc(c1)CNCc1c(cccc1)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.29521737
LogD (pH = 7.4)
1.4396901
Log P
2.2375321
Molar Refractivity
72.9735
Polarizability
28.611135
Polar Surface Area
34.15
Rotatable Bonds
6
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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