Molecule

ID:18341

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O
Molecular Mass
198.30518
Exact Mass
198.17321333
Charge
0
InChI
InChI=1S/C11H22N2O/c12-11(4-2-1-3-5-11)10-13-6-8-14-9-7-13/h1-10,12H2
InChIKey
FRCQVIXJQKSHHF-UHFFFAOYSA-N
Canonic Smiles
NC1(CCCCC1)CN1CCOCC1
Isomeric Smiles
N1(CC2(N)CCCCC2)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7039332
LogD (pH = 7.4)
-1.5247263
Log P
0.89772445
Molar Refractivity
57.9162
Polarizability
23.27968
Polar Surface Area
38.49
Rotatable Bonds
2
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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