Molecule

ID:62922

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)19-11-5-8-14(19)13-7-4-6-12(18-13)9-10-15(20)21/h4,6-7,14H,5,8-11H2,1-3H3,(H,20,21)
InChIKey
UVYRREJXGKUNRH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1cccc(n1)C1CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1C(c2nc(CCC(=O)O)ccc2)CCC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.1740313
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.65079135
LogD (pH = 7.4)
-0.95298004
Log P
1.7049855
Molar Refractivity
84.3931
Polarizability
33.242386
Polar Surface Area
79.73
Rotatable Bonds
6
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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