Molecule

ID:31697

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₂
Molecular Mass
222.28352
Exact Mass
222.13682783
Charge
0
InChI
InChI=1S/C12H18N2O2/c13-11-3-1-10(2-4-11)12(15)9-14-5-7-16-8-6-14/h1-4,12,15H,5-9,13H2
InChIKey
HYMAFXVXPWDVBG-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccc(cc1)N)CN1CCOCC1
Isomeric Smiles
N1(CC(c2ccc(N)cc2)O)CCOCC1
Calculated Properties
JChem
Acid pKa
14.218674
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.21063
LogD (pH = 7.4)
0.11115453
Log P
0.23688124
Molar Refractivity
64.3381
Polarizability
24.620356
Polar Surface Area
58.72
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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