Molecule

ID:23682

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₄
Molecular Mass
290.31442
Exact Mass
290.12665707
Charge
0
InChI
InChI=1S/C15H18N2O4/c1-3-17(4-2)15(21)11-6-5-7-12(10-11)16-13(18)8-9-14(19)20/h5-10H,3-4H2,1-2H3,(H,16,18)(H,19,20)/b9-8+
InChIKey
HVLVQGBGTPINPN-CMDGGOBGSA-N
Canonic Smiles
CCN(C(=O)c1cccc(c1)NC(=O)/C=C/C(=O)O)CC
Isomeric Smiles
C(=O)(c1cc(NC(=O)/C=C/C(=O)O)ccc1)N(CC)CC
Calculated Properties
JChem
Acid pKa
3.0779793
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.9861783
LogD (pH = 7.4)
-2.0595987
Log P
1.4049959
Molar Refractivity
81.2533
Polarizability
29.40255
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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