Molecule

ID:68050

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄N₂O₂
Molecular Mass
216.32046
Exact Mass
216.18377802
Charge
0
InChI
InChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9,12H2,1-3H3,(H,13,14)
InChIKey
RVZPDKXEHIRFPM-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCNC(=O)OC(C)(C)C
Isomeric Smiles
C(CCCCCNC(=O)OC(C)(C)C)N
Calculated Properties
JChem
Acid pKa
16.227276
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.4878738
LogD (pH = 7.4)
-1.068097
Log P
1.5361145
Molar Refractivity
61.4536
Polarizability
24.417141
Polar Surface Area
64.35
Rotatable Bonds
8
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
References
Bioactivity
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