Molecule

ID:23677

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O₄
Molecular Mass
346.42074
Exact Mass
346.18925732
Charge
0
InChI
InChI=1S/C19H26N2O4/c1-19(2,3)18(25)21-13-8-6-7-12(11-13)20-16(22)14-9-4-5-10-15(14)17(23)24/h6-8,11,14-15H,4-5,9-10H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)
InChIKey
UJJJUWGCLMWZPE-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCCC1C(=O)O)Nc1cccc(c1)NC(=O)C(C)(C)C
Isomeric Smiles
C(=O)(C1C(C(=O)O)CCCC1)Nc1cc(NC(=O)C(C)(C)C)ccc1
Calculated Properties
JChem
Acid pKa
4.1835103
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
2.250146
LogD (pH = 7.4)
0.53984094
Log P
3.5844498
Molar Refractivity
96.9285
Polarizability
36.466988
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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