Molecule

ID:17098

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O₂
Molecular Mass
210.27282
Exact Mass
210.13682783
Charge
0
InChI
InChI=1S/C11H18N2O2/c1-9-2-3-11(15-9)10(8-12)13-4-6-14-7-5-13/h2-3,10H,4-8,12H2,1H3
InChIKey
HYCDWTZMSHESDO-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(o1)C)N1CCOCC1
Isomeric Smiles
c1(C(N2CCOCC2)CN)ccc(o1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6258924
LogD (pH = 7.4)
-1.0922945
Log P
0.21873336
Molar Refractivity
58.8358
Polarizability
23.02108
Polar Surface Area
51.63
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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