Molecule

ID:16728

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-12-4-3-5-14(13(12)2)17-11-10-16-8-6-15-7-9-16/h3-5,15H,6-11H2,1-2H3
InChIKey
QZVBGJIITAQIIU-UHFFFAOYSA-N
Canonic Smiles
Cc1c(OCCN2CCNCC2)cccc1C
Isomeric Smiles
c1(c(c(ccc1)C)C)OCCN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8438563
LogD (pH = 7.4)
0.4857032
Log P
2.3251336
Molar Refractivity
71.3781
Polarizability
27.926573
Polar Surface Area
24.5
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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