Molecule

ID:68321

General Information
Structure
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-13-5-7-14(8-6-13)12-4-2-3-11(9-12)10-15/h2-4,9,15H,5-8,10H2,1H3
InChIKey
WUTDMUUJMMFJMQ-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)N1CCN(CC1)C
Isomeric Smiles
C(O)c1cc(ccc1)N1CCN(CC1)C
Calculated Properties
JChem
Acid pKa
15.100667
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2061738
LogD (pH = 7.4)
0.54331034
Log P
1.1610595
Molar Refractivity
63.3526
Polarizability
23.932972
Polar Surface Area
26.71
Rotatable Bonds
2
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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