Molecule

ID:62169

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₃
Molecular Mass
290.35748
Exact Mass
290.16304257
Charge
0
InChI
InChI=1S/C16H22N2O3/c1-13(19)18-10-4-8-16(12-18,15(20)21)7-2-5-14-6-3-9-17-11-14/h3,6,9,11H,2,4-5,7-8,10,12H2,1H3,(H,20,21)
InChIKey
LXCJDHDMHDBZCG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCCC(C1)(CCCc1cccnc1)C(=O)O
Isomeric Smiles
C1(C(=O)O)(CN(C(=O)C)CCC1)CCCc1cnccc1
Calculated Properties
JChem
Acid pKa
4.237732
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.22451003
LogD (pH = 7.4)
-1.2755895
Log P
0.38724875
Molar Refractivity
78.7293
Polarizability
30.61908
Polar Surface Area
70.5
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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