Molecule

ID:23655

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₄
Molecular Mass
304.341
Exact Mass
304.14230713
Charge
0
InChI
InChI=1S/C16H20N2O4/c19-14(4-3-5-15(20)21)17-13-8-6-12(7-9-13)16(22)18-10-1-2-11-18/h6-9H,1-5,10-11H2,(H,17,19)(H,20,21)
InChIKey
CKSNUEHIEKMYDT-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)C(=O)N1CCCC1)CCCC(=O)O
Isomeric Smiles
C(=O)(N1CCCC1)c1ccc(NC(=O)CCCC(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.9813643
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.3432325
LogD (pH = 7.4)
-1.9855002
Log P
1.1841775
Molar Refractivity
82.8281
Polarizability
30.76621
Polar Surface Area
86.71
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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