Molecule

ID:75169

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆N₂O₂
Molecular Mass
230.34704
Exact Mass
230.19942808
Charge
0
InChI
InChI=1S/C12H26N2O2/c1-12(2,3)16-11(15)14-10-8-6-4-5-7-9-13/h4-10,13H2,1-3H3,(H,14,15)
InChIKey
DTJYPERGUPPXRU-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCCNC(=O)OC(C)(C)C
Isomeric Smiles
NCCCCCCCNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.258724
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.0433052
LogD (pH = 7.4)
-0.6235285
Log P
1.9806831
Molar Refractivity
66.0546
Polarizability
26.257692
Polar Surface Area
64.35
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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