Molecule

ID:15792

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-2-4-12(5-3-1)15-11-10-14-8-6-13-7-9-14/h1-5,13H,6-11H2
InChIKey
PTJSLCXRMMGRLY-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CCOc1ccccc1
Isomeric Smiles
c1cccc(c1)OCCN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8762903
LogD (pH = 7.4)
-0.5450642
Log P
1.2982907
Molar Refractivity
61.2957
Polarizability
24.393291
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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