Molecule

ID:61466

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₄
Molecular Mass
320.38346
Exact Mass
320.17360726
Charge
0
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-10-9-18(12-14(19)15(20)21)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)
InChIKey
ZGEORLKSWXAMBW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(CCN1C(=O)OC(C)(C)C)Cc1ccccc1
Isomeric Smiles
N1(C(C(=O)O)CN(CC1)Cc1ccccc1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.1518354
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.309335
LogD (pH = 7.4)
-0.63190395
Log P
-0.30779374
Molar Refractivity
86.1811
Polarizability
33.81207
Polar Surface Area
70.08
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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