Molecule

ID:23577

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₄
Molecular Mass
340.3731
Exact Mass
340.14230713
Charge
0
InChI
InChI=1S/C19H20N2O4/c22-17(10-9-14-5-2-1-3-6-14)20-15-7-4-8-16(13-15)21-18(23)11-12-19(24)25/h1-8,13H,9-12H2,(H,20,22)(H,21,23)(H,24,25)
InChIKey
OEKOVQJLYNSHHP-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1)NC(=O)CCC(=O)O)CCc1ccccc1
Isomeric Smiles
C(=O)(Nc1cc(NC(=O)CCC(=O)O)ccc1)CCc1ccccc1
Calculated Properties
JChem
Acid pKa
4.042875
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.0840734
LogD (pH = 7.4)
-0.5815264
Log P
2.5524378
Molar Refractivity
96.0002
Polarizability
35.729195
Polar Surface Area
95.5
Rotatable Bonds
8
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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