Molecule

ID:47689

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)11-5-4-9(2)8-10(11)12/h4-5,8,14H,3,6-7,12H2,1-2H3
InChIKey
DVDXCMZFHGRWDR-UHFFFAOYSA-N
Canonic Smiles
OCCN(c1ccc(cc1N)C)CC
Isomeric Smiles
c1(c(cc(cc1)C)N)N(CCO)CC
Calculated Properties
JChem
Acid pKa
15.579177
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3963125
LogD (pH = 7.4)
1.4320161
Log P
1.4324911
Molar Refractivity
61.2691
Polarizability
22.357912
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
No Data Available
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Molecule Details
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References
Bioactivity
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