Molecule

ID:26831

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O
Molecular Mass
248.36386
Exact Mass
248.1888634
Charge
0
InChI
InChI=1S/C15H24N2O/c1-2-3-12-18-15-6-4-14(5-7-15)13-17-10-8-16-9-11-17/h4-7,16H,2-3,8-13H2,1H3
InChIKey
DLEWDSSLJATWIV-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)CN1CCNCC1
Isomeric Smiles
N1(Cc2ccc(cc2)OCCCC)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6331839
LogD (pH = 7.4)
0.69974583
Log P
2.544942
Molar Refractivity
75.6929
Polarizability
29.925623
Polar Surface Area
24.5
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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