Molecule

ID:48254

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₂
Molecular Mass
276.37396
Exact Mass
276.18377802
Charge
0
InChI
InChI=1S/C16H24N2O2/c1-3-13-7-5-6-10-18(13)15-9-8-12(11-14(15)17)16(19)20-4-2/h8-9,11,13H,3-7,10,17H2,1-2H3
InChIKey
XUSGTPCXSPAVGO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N1CCCCC1CC
Isomeric Smiles
N1(c2c(cc(C(=O)OCC)cc2)N)C(CC)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3987575
LogD (pH = 7.4)
3.4020698
Log P
3.4021122
Molar Refractivity
83.0457
Polarizability
31.028336
Polar Surface Area
55.56
Rotatable Bonds
5
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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