Molecule

ID:17017

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14/h1-5,12H,6-10,13H2
InChIKey
CLAGARRWBBUZDR-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccccc1)CN1CCOCC1
Isomeric Smiles
c1(C(CN2CCOCC2)N)ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0366406
LogD (pH = 7.4)
-0.58583784
Log P
0.95892537
Molar Refractivity
61.2952
Polarizability
24.405348
Polar Surface Area
38.49
Rotatable Bonds
3
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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