Molecule

ID:17673

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c15-13-7-3-4-8-14(13)17-12-11-16-9-5-1-2-6-10-16/h3-4,7-8H,1-2,5-6,9-12,15H2
InChIKey
CSXVMTLVGHJGDG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1OCCN1CCCCCC1
Isomeric Smiles
c1(c(cccc1)N)OCCN1CCCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0226794
LogD (pH = 7.4)
0.43705237
Log P
2.3002279
Molar Refractivity
71.9837
Polarizability
27.689085
Polar Surface Area
38.49
Rotatable Bonds
4
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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