Molecule

ID:16110

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)15-9-10(14)8-13-6-4-12-5-7-13/h10,12,14H,4-9H2,1-3H3
InChIKey
YISICUIXWFCQGK-UHFFFAOYSA-N
Canonic Smiles
OC(CN1CCNCC1)COC(C)(C)C
Isomeric Smiles
N1(CC(COC(C)(C)C)O)CCNCC1
Calculated Properties
JChem
Acid pKa
14.096684
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.1548116
LogD (pH = 7.4)
-1.8203928
Log P
0.030890305
Molar Refractivity
61.5551
Polarizability
24.62508
Polar Surface Area
44.73
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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