Molecule

ID:19507

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O
Molecular Mass
242.31622
Exact Mass
242.14191321
Charge
0
InChI
InChI=1S/C15H18N2O/c1-17(13-7-3-2-4-8-13)11-12-18-15-10-6-5-9-14(15)16/h2-10H,11-12,16H2,1H3
InChIKey
QJWFJAJSOGJDJO-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccccc1)CCOc1ccccc1N
Isomeric Smiles
N(c1ccccc1)(CCOc1c(N)cccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8589036
LogD (pH = 7.4)
2.8959217
Log P
2.8964133
Molar Refractivity
75.7392
Polarizability
28.42647
Polar Surface Area
38.49
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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