Molecule

ID:13348

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-14-4-2-5-15(12-14)13-16-6-3-7-17-8-10-18-11-9-17/h2,4-5,12,16H,3,6-11,13H2,1H3
InChIKey
GUWBXULZILRFNC-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)CNCCCN1CCOCC1
Isomeric Smiles
C1OCCN(C1)CCCNCc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9997559
LogD (pH = 7.4)
-0.5447985
Log P
1.9051199
Molar Refractivity
76.3062
Polarizability
29.863586
Polar Surface Area
24.5
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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