Molecule

ID:23588

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₄
Molecular Mass
320.38346
Exact Mass
320.17360726
Charge
0
InChI
InChI=1S/C17H24N2O4/c1-3-11-19(12-4-2)17(23)13-5-7-14(8-6-13)18-15(20)9-10-16(21)22/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)(H,21,22)
InChIKey
QLPRCSGDZKJSNX-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)c1ccc(cc1)NC(=O)CCC(=O)O)CCC
Isomeric Smiles
C(=O)(c1ccc(NC(=O)CCC(=O)O)cc1)N(CCC)CCC
Calculated Properties
JChem
Acid pKa
3.8701117
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.4578115
LogD (pH = 7.4)
-1.1363776
Log P
2.092472
Molar Refractivity
89.2313
Polarizability
33.315342
Polar Surface Area
86.71
Rotatable Bonds
9
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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