Molecule

ID:16871

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₂O₂
Molecular Mass
240.34186
Exact Mass
240.18377802
Charge
0
InChI
InChI=1S/C13H24N2O2/c16-13(17)6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h12H,1-11H2,(H,16,17)
InChIKey
YTWPPUYGIHSOJR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1CCN(CC1)C1CCCCC1
Isomeric Smiles
N1(C2CCCCC2)CCN(CC1)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.238082
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1978909
LogD (pH = 7.4)
-1.1814009
Log P
-1.1799281
Molar Refractivity
67.8364
Polarizability
26.780424
Polar Surface Area
43.78
Rotatable Bonds
4
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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