Molecule

ID:26829

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-2-11-17-14-6-4-3-5-13(14)12-16-9-7-15-8-10-16/h2-6,15H,1,7-12H2
InChIKey
KWUWZLRTQAMEMJ-UHFFFAOYSA-N
Canonic Smiles
C=CCOc1ccccc1CN1CCNCC1
Isomeric Smiles
c1(CN2CCNCC2)c(OCC=C)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1958544
LogD (pH = 7.4)
0.12780105
Log P
1.9522928
Molar Refractivity
70.982
Polarizability
27.844381
Polar Surface Area
24.5
Rotatable Bonds
5
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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