Molecule

ID:33098

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₃
Molecular Mass
230.30398
Exact Mass
230.16304257
Charge
0
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-5-4-9-8-12-6-7-15-9/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKey
JXZNAZXFHKPBMP-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCCC1OCCNC1
Isomeric Smiles
C(=O)(OC(C)(C)C)NCCC1OCCNC1
Calculated Properties
JChem
Acid pKa
15.739453
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.274519
LogD (pH = 7.4)
-0.55974865
Log P
0.40346146
Molar Refractivity
61.1263
Polarizability
24.405922
Polar Surface Area
59.59
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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