Molecule

ID:13371

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O
Molecular Mass
198.30518
Exact Mass
198.17321333
Charge
0
InChI
InChI=1S/C11H22N2O/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11/h10-12H,2-9H2,1H3
InChIKey
ZDXPPVJOETXBJZ-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)NCC1CCCO1
Isomeric Smiles
C1CC(OC1)CNC1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.9211264
LogD (pH = 7.4)
-2.751184
Log P
0.2525167
Molar Refractivity
58.3992
Polarizability
23.27968
Polar Surface Area
24.5
Rotatable Bonds
3
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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