Molecule

ID:23569

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₄
Molecular Mass
290.31442
Exact Mass
290.12665707
Charge
0
InChI
InChI=1S/C15H18N2O4/c1-15(2,3)17-14(21)10-4-6-11(7-5-10)16-12(18)8-9-13(19)20/h4-9H,1-3H3,(H,16,18)(H,17,21)(H,19,20)/b9-8+
InChIKey
MTSHPRGXXATLPV-CMDGGOBGSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)C(=O)NC(C)(C)C)/C=C/C(=O)O
Isomeric Smiles
C(=O)(NC(C)(C)C)c1ccc(NC(=O)/C=C/C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.2228713
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.73426765
LogD (pH = 7.4)
-1.9196974
Log P
1.5216635
Molar Refractivity
80.665
Polarizability
29.402527
Polar Surface Area
95.5
Rotatable Bonds
5
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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