Molecule

ID:43218

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)19-12-8-7-11-18(19)14(15(20)21)13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3,(H,20,21)
InChIKey
RLHAFQHEBBLIGL-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCN1C(c1ccccc1)C(=O)O)OC(C)(C)C
Isomeric Smiles
N1(N(C(=O)OC(C)(C)C)CCCC1)C(C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.183738
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2212777
LogD (pH = 7.4)
-0.48883832
Log P
2.556143
Molar Refractivity
85.8687
Polarizability
33.712543
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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