Molecule

ID:41713

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c1-9(15)11-8-10(2-3-12(11)13)14-4-6-16-7-5-14/h2-3,8H,4-7,13H2,1H3
InChIKey
QMVGRDDJOMFUJP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc(ccc1N)N1CCOCC1
Isomeric Smiles
c1(cc(N2CCOCC2)ccc1N)C(=O)C
Calculated Properties
JChem
Acid pKa
16.250774
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2300569
LogD (pH = 7.4)
1.2413647
Log P
1.2415107
Molar Refractivity
64.6643
Polarizability
23.674833
Polar Surface Area
55.56
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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