Molecule

ID:23602

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈N₂O₄
Molecular Mass
338.35722
Exact Mass
338.12665707
Charge
0
InChI
InChI=1S/C19H18N2O4/c22-17(15-5-1-2-6-16(15)19(24)25)20-14-9-7-13(8-10-14)18(23)21-11-3-4-12-21/h1-2,5-10H,3-4,11-12H2,(H,20,22)(H,24,25)
InChIKey
XFSGVJVEFLOEMU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)NC(=O)c1ccccc1C(=O)O)N1CCCC1
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1ccc(C(=O)N2CCCC2)cc1
Calculated Properties
JChem
Acid pKa
2.9105244
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.11708944
LogD (pH = 7.4)
-1.05786
Log P
2.4265034
Molar Refractivity
95.2605
Polarizability
34.756145
Polar Surface Area
86.71
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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