Molecule

ID:76202

General Information
Structure
Molecular Formula
C₁₇H₂₄N₂O₄
Molecular Mass
320.38346
Exact Mass
320.17360726
Charge
0
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-11-9-18(10-12-19)14(15(20)21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)
InChIKey
QPEHPIVVAWESTM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)C(c1ccccc1)C(=O)O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCN(CC1)C(c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
1.1038423
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.34561187
LogD (pH = 7.4)
-0.5369147
Log P
-0.34276405
Molar Refractivity
86.1811
Polarizability
33.810196
Polar Surface Area
70.08
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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