Molecule

ID:24212

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₄
Molecular Mass
306.35688
Exact Mass
306.15795719
Charge
0
InChI
InChI=1S/C14H18N2O2.C2H4O2/c1-10-12(8-15(2)3)11-6-4-5-7-13(11)16(10)9-14(17)18;1-2(3)4/h4-7H,8-9H2,1-3H3,(H,17,18);1H3,(H,3,4)
InChIKey
JDYYTXAVRAJRDR-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1c(C)n(c2c1cccc2)CC(=O)O)C.CC(=O)O
Isomeric Smiles
c12c(n(c(c1CN(C)C)C)CC(=O)O)cccc2.O=C(O)C
Calculated Properties
JChem
Acid pKa
4.3105297
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8361355
LogD (pH = 7.4)
-0.8188348
Log P
-0.8162986
Molar Refractivity
71.8182
Polarizability
28.542698
Polar Surface Area
45.47
Rotatable Bonds
4
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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