Molecule

ID:80601

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
InChIKey
CKZVBXBEDDAEFE-UHFFFAOYSA-N
Canonic Smiles
NCC1OCCN(C1)Cc1ccccc1
Isomeric Smiles
N1(CC(CN)OCC1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9870412
LogD (pH = 7.4)
-1.0935761
Log P
0.95892537
Molar Refractivity
61.2952
Polarizability
24.405964
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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