Molecule

ID:84127

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-9H,1,10-11,16-17H2
InChIKey
KWFFEQXPFFDJER-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCCCOc1ccc(cc1)N
Isomeric Smiles
Nc1ccc(cc1)OCCCOc1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.6189271
LogD (pH = 7.4)
1.8581808
Log P
1.861732
Molar Refractivity
77.3396
Polarizability
29.081179
Polar Surface Area
70.5
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
No Data Available
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Molecule Details
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References
Bioactivity
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