Molecule

ID:19357

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-2-17-11-6-5-7-13(17)10-12-18-15-9-4-3-8-14(15)16/h3-4,8-9,13H,2,5-7,10-12,16H2,1H3
InChIKey
WTVJYCXDYHBMOK-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCCC1CCOc1ccccc1N
Isomeric Smiles
N1(C(CCOc2c(N)cccc2)CCCC1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0898663
LogD (pH = 7.4)
0.18816447
Log P
2.332194
Molar Refractivity
76.6669
Polarizability
29.534399
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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