Molecule

ID:11303

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₄
Molecular Mass
304.341
Exact Mass
304.14230713
Charge
0
InChI
InChI=1S/C16H20N2O4/c19-13(17-10-12-4-2-1-3-5-12)6-8-16(15(21)22)9-7-14(20)18-11-16/h1-5H,6-11H2,(H,17,19)(H,18,20)(H,21,22)
InChIKey
KFUNZJUZXYJCRY-UHFFFAOYSA-N
Canonic Smiles
O=C(NCc1ccccc1)CCC1(CCC(=O)NC1)C(=O)O
Isomeric Smiles
C1(C(=O)O)(CNC(=O)CC1)CCC(=O)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
4.1633377
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.8437349
LogD (pH = 7.4)
-2.5483496
Log P
0.5097278
Molar Refractivity
79.6447
Polarizability
30.98642
Polar Surface Area
95.5
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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