Molecule

ID:34914

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-3-17-10-8-14(9-11-17)16-12-13-4-6-15(18-2)7-5-13/h4-7,14,16H,3,8-12H2,1-2H3
InChIKey
YIFXVZMSWRQMJO-UHFFFAOYSA-N
Canonic Smiles
CCN1CCC(CC1)NCc1ccc(cc1)OC
Isomeric Smiles
N1(CCC(NCc2ccc(cc2)OC)CC1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.629259
LogD (pH = 7.4)
-1.2516122
Log P
1.7575375
Molar Refractivity
75.9689
Polarizability
29.925835
Polar Surface Area
24.5
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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