Molecule

ID:36403

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃N₃O₄
Molecular Mass
321.37152
Exact Mass
321.16885623
Charge
0
InChI
InChI=1S/C16H23N3O4/c20-11-10-17-6-8-18(9-7-17)15(21)12-19(13-16(22)23)14-4-2-1-3-5-14/h1-5,20H,6-13H2,(H,22,23)
InChIKey
YFEZNKRIRBGJEN-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)C(=O)CN(c1ccccc1)CC(=O)O
Isomeric Smiles
C(=O)(N1CCN(CC1)CCO)CN(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.956499
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-2.6944814
LogD (pH = 7.4)
-3.2028937
Log P
-2.7053885
Molar Refractivity
86.6138
Polarizability
33.063694
Polar Surface Area
84.32
Rotatable Bonds
7
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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