Molecule

ID:18976

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-13(2)11-5-3-9(4-6-11)7-10(12)8-14/h3-6,10,14H,7-8,12H2,1-2H3
InChIKey
ZTOHUVFPVDSUPB-UHFFFAOYSA-N
Canonic Smiles
OCC(Cc1ccc(cc1)N(C)C)N
Isomeric Smiles
c1(N(C)C)ccc(CC(N)CO)cc1
Calculated Properties
JChem
Acid pKa
15.116406
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.28526
LogD (pH = 7.4)
-1.1737233
Log P
0.8653844
Molar Refractivity
59.6775
Polarizability
22.748018
Polar Surface Area
49.49
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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