Molecule

ID:24020

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h1-5,12H,6-10,13H2
InChIKey
WSNSRJWLIVDXDI-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)N1CCOCC1
Isomeric Smiles
N1(C(c2ccccc2)CN)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.078532
LogD (pH = 7.4)
-0.5920588
Log P
0.95892537
Molar Refractivity
61.2952
Polarizability
24.405287
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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