Molecule

ID:18190

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂O
Molecular Mass
186.29448
Exact Mass
186.17321333
Charge
0
InChI
InChI=1S/C10H22N2O/c1-9-7-12(6-4-3-5-11)8-10(2)13-9/h9-10H,3-8,11H2,1-2H3
InChIKey
ODJBPQYPAKLTSU-UHFFFAOYSA-N
Canonic Smiles
NCCCCN1CC(C)OC(C1)C
Isomeric Smiles
N1(CC(OC(C1)C)C)CCCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.287047
LogD (pH = 7.4)
-3.1099546
Log P
0.5851577
Molar Refractivity
55.36
Polarizability
22.168617
Polar Surface Area
38.49
Rotatable Bonds
4
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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