Molecule

ID:23614

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈N₂O₄
Molecular Mass
326.34652
Exact Mass
326.12665707
Charge
0
InChI
InChI=1S/C18H18N2O4/c1-11(2)16(21)19-12-6-5-7-13(10-12)20-17(22)14-8-3-4-9-15(14)18(23)24/h3-11H,1-2H3,(H,19,21)(H,20,22)(H,23,24)
InChIKey
CDJMLLRHXJSXOG-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)C)Nc1cccc(c1)NC(=O)c1ccccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1cc(NC(=O)C(C)C)ccc1
Calculated Properties
JChem
Acid pKa
2.910288
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.6603462
LogD (pH = 7.4)
-0.28040034
Log P
3.203946
Molar Refractivity
92.9121
Polarizability
33.84235
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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