Molecule

ID:13569

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O
Molecular Mass
196.2893
Exact Mass
196.15756327
Charge
0
InChI
InChI=1S/C11H20N2O/c1-10-5-6-11(14-10)9-12-7-4-8-13(2)3/h5-6,12H,4,7-9H2,1-3H3
InChIKey
WLKHRLBHQGIFKD-UHFFFAOYSA-N
Canonic Smiles
CN(CCCNCc1ccc(o1)C)C
Isomeric Smiles
c1cc(oc1C)CNCCCN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.7758787
LogD (pH = 7.4)
-1.5194225
Log P
0.87000686
Molar Refractivity
59.7311
Polarizability
23.060741
Polar Surface Area
28.41
Rotatable Bonds
6
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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