Molecule

ID:30896

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c13-9-11-3-1-2-4-12(11)10-14-5-7-15-8-6-14/h1-4H,5-10,13H2
InChIKey
NMFAEZHWSZZJOA-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1CN1CCOCC1
Isomeric Smiles
N1(Cc2c(CN)cccc2)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7740903
LogD (pH = 7.4)
-1.349623
Log P
0.82191056
Molar Refractivity
62.1486
Polarizability
24.400963
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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