Molecule

ID:14931

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₄
Molecular Mass
294.34618
Exact Mass
294.15795719
Charge
0
InChI
InChI=1S/C15H22N2O4/c1-3-16(4-2)7-8-17-9-15-6-5-10(21-15)11(14(19)20)12(15)13(17)18/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,19,20)
InChIKey
KMCWJCUNYIWRDS-UHFFFAOYSA-N
Canonic Smiles
CCN(CCN1CC23C(C1=O)C(C(O3)C=C2)C(=O)O)CC
Isomeric Smiles
C123C(C(C(O1)C=C3)C(=O)O)C(=O)N(C2)CCN(CC)CC
Calculated Properties
JChem
Acid pKa
3.74053
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.8481588
LogD (pH = 7.4)
-2.8506508
Log P
-2.8441637
Molar Refractivity
77.4678
Polarizability
29.925396
Polar Surface Area
70.08
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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