Molecule

ID:24213

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₄
Molecular Mass
320.38346
Exact Mass
320.17360726
Charge
0
InChI
InChI=1S/C15H20N2O2.C2H4O2/c1-11-13(10-16(2)3)12-6-4-5-7-14(12)17(11)9-8-15(18)19;1-2(3)4/h4-7H,8-10H2,1-3H3,(H,18,19);1H3,(H,3,4)
InChIKey
UMSWFYNZIPHTGY-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1c(C)n(c2c1cccc2)CCC(=O)O)C.CC(=O)O
Isomeric Smiles
c12c(n(c(c1CN(C)C)C)CCC(=O)O)cccc2.O=C(O)C
Calculated Properties
JChem
Acid pKa
4.6190567
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.61819965
LogD (pH = 7.4)
-0.5795177
Log P
-0.5774285
Molar Refractivity
76.5176
Polarizability
30.388374
Polar Surface Area
45.47
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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