Molecule

ID:88420

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₂
Molecular Mass
236.3101
Exact Mass
236.15247789
Charge
0
InChI
InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15(5)14(4)11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKey
QQANFOCZEDAQBI-UHFFFAOYSA-N
Canonic Smiles
O=C(N(N(c1ccccc1)C)C)OC(C)(C)C
Isomeric Smiles
N(C(=O)OC(C)(C)C)(N(c1ccccc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0157158
LogD (pH = 7.4)
3.0157573
Log P
3.0157578
Molar Refractivity
78.2777
Polarizability
26.253218
Polar Surface Area
32.78
Rotatable Bonds
4
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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