Molecule

ID:31553

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-9,12H2,1-2H3
InChIKey
OBHPRQNPNGQGCK-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)OCCN(C)C
Isomeric Smiles
N(CCOc1ccc(cc1)CN)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.097489
LogD (pH = 7.4)
-2.4759128
Log P
0.9599875
Molar Refractivity
59.0137
Polarizability
23.27991
Polar Surface Area
38.49
Rotatable Bonds
5
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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