Molecule

ID:14432

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO₄
Molecular Mass
329.39022
Exact Mass
329.16270822
Charge
0
InChI
InChI=1S/C19H23NO4/c1-12-14(11-16(24-12)19(2,3)4)17(21)20-15(18(22)23)10-13-8-6-5-7-9-13/h5-9,11,15H,10H2,1-4H3,(H,20,21)(H,22,23)
InChIKey
MCSWOHOPDTWQCL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NC(=O)c1cc(oc1C)C(C)(C)C)Cc1ccccc1
Isomeric Smiles
c1(cc(oc1C)C(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.309376
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.3397262
LogD (pH = 7.4)
0.599352
Log P
3.5555003
Molar Refractivity
91.4371
Polarizability
34.728592
Polar Surface Area
79.54
Rotatable Bonds
6
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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