Molecule

ID:91238

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₂
Molecular Mass
236.3101
Exact Mass
236.15247789
Charge
0
InChI
InChI=1S/C13H20N2O2/c14-11-12-2-1-3-13(10-12)17-9-6-15-4-7-16-8-5-15/h1-3,10H,4-9,11,14H2
InChIKey
KRJWFDTWNMICLY-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)OCCN1CCOCC1
Isomeric Smiles
O1CCN(CC1)CCOc1cccc(c1)CN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.4217908
LogD (pH = 7.4)
-1.3169968
Log P
0.7414871
Molar Refractivity
68.0882
Polarizability
26.90816
Polar Surface Area
47.72
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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