Molecule

ID:14908

General Information
Structure
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-3-17-10-6-8-14(17)12-16-11-13-7-4-5-9-15(13)18-2/h4-5,7,9,14,16H,3,6,8,10-12H2,1-2H3
InChIKey
GNQVJZDBBVUURJ-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CNCc1ccccc1OC
Isomeric Smiles
C1(N(CCC1)CC)CNCc1c(cccc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2773569
LogD (pH = 7.4)
0.20119216
Log P
2.2149403
Molar Refractivity
75.7481
Polarizability
29.926085
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
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Molecule Details
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References
Bioactivity
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