Molecule

ID:26832

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-12(2)17-14-6-4-3-5-13(14)11-16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3
InChIKey
UFOUCZAOCSAYOA-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1CN1CCNCC1)C
Isomeric Smiles
c1(c(OC(C)C)cccc1)CN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1458173
LogD (pH = 7.4)
0.1751853
Log P
1.9944259
Molar Refractivity
70.9867
Polarizability
28.079784
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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