Molecule

ID:78644

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₂
Molecular Mass
276.37396
Exact Mass
276.18377802
Charge
0
InChI
InChI=1S/C16H24N2O2/c1-2-20-16(19)8-9-17-10-12-18(13-11-17)14-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3
InChIKey
LIOVOGRQHDNEKX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCN1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCN(CC1)CCC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.8055225
LogD (pH = 7.4)
0.9609767
Log P
1.9794602
Molar Refractivity
80.9525
Polarizability
31.834442
Polar Surface Area
32.78
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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