Molecule

ID:76352

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₄
Molecular Mass
320.38346
Exact Mass
320.17360726
Charge
0
InChI
InChI=1S/C17H24N2O4/c1-16(2,3)23-15(22)19-10-6-8-17(12-19,14(20)21)11-13-7-4-5-9-18-13/h4-5,7,9H,6,8,10-12H2,1-3H3,(H,20,21)
InChIKey
QLRFGRWPXIPAGX-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC(C1)(Cc1ccccn1)C(=O)O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CC(C(=O)O)(Cc2ncccc2)CCC1
Calculated Properties
JChem
Acid pKa
3.999376
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7355123
LogD (pH = 7.4)
-0.931223
Log P
1.2908409
Molar Refractivity
84.5327
Polarizability
33.246338
Polar Surface Area
79.73
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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