Molecule

ID:23678

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O₄
Molecular Mass
346.42074
Exact Mass
346.18925732
Charge
0
InChI
InChI=1S/C19H26N2O4/c1-3-12(2)20-17(22)13-7-6-8-14(11-13)21-18(23)15-9-4-5-10-16(15)19(24)25/h6-8,11-12,15-16H,3-5,9-10H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)
InChIKey
KJLJHAIVPDONBX-UHFFFAOYSA-N
Canonic Smiles
CCC(NC(=O)c1cccc(c1)NC(=O)C1CCCCC1C(=O)O)C
Isomeric Smiles
C(=O)(C1C(C(=O)O)CCCC1)Nc1cc(C(=O)NC(CC)C)ccc1
Calculated Properties
JChem
Acid pKa
3.912822
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.32406
LogD (pH = 7.4)
-0.28950894
Log P
2.9174247
Molar Refractivity
96.0296
Polarizability
36.26592
Polar Surface Area
95.5
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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