Molecule

ID:32216

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈N₂O₄
Molecular Mass
338.35722
Exact Mass
338.12665707
Charge
0
InChI
InChI=1S/C19H18N2O4/c22-17(15-8-1-2-9-16(15)19(24)25)20-14-7-5-6-13(12-14)18(23)21-10-3-4-11-21/h1-2,5-9,12H,3-4,10-11H2,(H,20,22)(H,24,25)
InChIKey
NFMRGAHVZBQSOK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc(c1)NC(=O)c1ccccc1C(=O)O)N1CCCC1
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1cc(C(=O)N2CCCC2)ccc1
Calculated Properties
JChem
Acid pKa
2.9104745
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.11709237
LogD (pH = 7.4)
-1.0579487
Log P
2.4265034
Molar Refractivity
95.2605
Polarizability
34.756332
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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