Molecule

ID:13508

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂O
Molecular Mass
186.29448
Exact Mass
186.17321333
Charge
0
InChI
InChI=1S/C10H22N2O/c1-12-7-4-10(5-8-12)11-6-3-9-13-2/h10-11H,3-9H2,1-2H3
InChIKey
HZXTVHVKRLJKAY-UHFFFAOYSA-N
Canonic Smiles
COCCCNC1CCN(CC1)C
Isomeric Smiles
C1C(CCN(C1)C)NCCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.3387823
LogD (pH = 7.4)
-3.4157383
Log P
-0.15308811
Molar Refractivity
56.0534
Polarizability
22.168617
Polar Surface Area
24.5
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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