Molecule

ID:48253

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₂
Molecular Mass
276.37396
Exact Mass
276.18377802
Charge
0
InChI
InChI=1S/C16H24N2O2/c1-3-20-16(19)12-9-10-15(14(17)11-12)18(2)13-7-5-4-6-8-13/h9-11,13H,3-8,17H2,1-2H3
InChIKey
ISGIKPWNYMZHKX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N(C1CCCCC1)C
Isomeric Smiles
c1(N(C2CCCCC2)C)c(cc(C(=O)OCC)cc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4088113
LogD (pH = 7.4)
3.41188
Log P
3.411919
Molar Refractivity
82.9751
Polarizability
31.02848
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
Molecule Details
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References
Bioactivity
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