Molecule

ID:47815

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-3-13(6-7-14)11-5-4-10(12)8-9(11)2/h4-5,8,14H,3,6-7,12H2,1-2H3
InChIKey
FXWLIOZHGLWASU-UHFFFAOYSA-N
Canonic Smiles
OCCN(c1ccc(cc1C)N)CC
Isomeric Smiles
c1(c(cc(cc1)N)C)N(CCO)CC
Calculated Properties
JChem
Acid pKa
15.579239
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.62136316
LogD (pH = 7.4)
1.4029844
Log P
1.4324911
Molar Refractivity
61.2691
Polarizability
22.357218
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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