Molecule

ID:18064

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-9-7-14(8-10(2)15-9)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8,13H2,1-2H3
InChIKey
SMOGUURTGJUNNJ-UHFFFAOYSA-N
Canonic Smiles
CC1OC(C)CN(C1)c1ccc(cc1)N
Isomeric Smiles
N1(c2ccc(N)cc2)CC(OC(C1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3402898
LogD (pH = 7.4)
1.8541136
Log P
1.8670133
Molar Refractivity
63.0991
Polarizability
23.620146
Polar Surface Area
38.49
Rotatable Bonds
1
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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