Molecule

ID:13438

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₃
Molecular Mass
290.35748
Exact Mass
290.16304257
Charge
0
InChI
InChI=1S/C16H22N2O3/c19-15(5-4-6-16(20)21)17-13-7-9-14(10-8-13)18-11-2-1-3-12-18/h7-10H,1-6,11-12H2,(H,17,19)(H,20,21)
InChIKey
LTGLTRPBDUIZRP-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)N1CCCCC1)CCCC(=O)O
Isomeric Smiles
c1c(ccc(c1)NC(=O)CCCC(=O)O)N1CCCCC1
Calculated Properties
JChem
Acid pKa
4.2545247
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.068714
LogD (pH = 7.4)
-0.5082564
Log P
1.283524
Molar Refractivity
82.9859
Polarizability
30.873112
Polar Surface Area
69.64
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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