Molecule

ID:75148

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆N₂O₂
Molecular Mass
230.34704
Exact Mass
230.19942808
Charge
0
InChI
InChI=1S/C12H26N2O2/c1-5-13-9-7-6-8-10-14-11(15)16-12(2,3)4/h13H,5-10H2,1-4H3,(H,14,15)
InChIKey
HSYFFBMGEABTLW-UHFFFAOYSA-N
Canonic Smiles
CCNCCCCCNC(=O)OC(C)(C)C
Isomeric Smiles
N(CC)CCCCCNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.258682
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.3554159
LogD (pH = 7.4)
-1.050713
Log P
1.8809341
Molar Refractivity
66.3758
Polarizability
26.257692
Polar Surface Area
50.36
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
No Data Available
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Molecule Details
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References
Bioactivity
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