Molecule

ID:28799

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O
Molecular Mass
242.31622
Exact Mass
242.14191321
Charge
0
InChI
InChI=1S/C15H18N2O/c1-13-5-2-3-7-15(13)18-10-9-17-12-14-6-4-8-16-11-14/h2-8,11,17H,9-10,12H2,1H3
InChIKey
DQDIFVCVLAPRIC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OCCNCc1cccnc1
Isomeric Smiles
n1cc(CNCCOc2c(C)cccc2)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5063918
LogD (pH = 7.4)
1.0462934
Log P
2.471393
Molar Refractivity
72.7425
Polarizability
28.537117
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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