Molecule

ID:11514

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c18-14(6-3-7-15(19)20)16-12-4-1-2-5-13(12)17-8-10-21-11-9-17/h1-2,4-5H,3,6-11H2,(H,16,18)(H,19,20)
InChIKey
CGAALBFFRBSBSB-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1N1CCOCC1)CCCC(=O)O
Isomeric Smiles
N1(c2c(NC(=O)CCCC(=O)O)cccc2)CCOCC1
Calculated Properties
JChem
Acid pKa
4.09576
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.048072353
LogD (pH = 7.4)
-1.7318034
Log P
1.369931
Molar Refractivity
79.9184
Polarizability
29.76019
Polar Surface Area
78.87
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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