Molecule

ID:16978

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O
Molecular Mass
198.30518
Exact Mass
198.17321333
Charge
0
InChI
InChI=1S/C11H22N2O/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13/h1-10,12H2
InChIKey
MCIDPQNLGSHVEJ-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCCC1)N1CCOCC1
Isomeric Smiles
C1(N2CCOCC2)(CCCCC1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0391004
LogD (pH = 7.4)
-1.1732545
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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