Molecule

ID:86552

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O₂
Molecular Mass
210.27282
Exact Mass
210.13682783
Charge
0
InChI
InChI=1S/C11H18N2O2/c1-6-15-10(14)8-7-9(11(2,3)4)12-13(8)5/h7H,6H2,1-5H3
InChIKey
JCOHRMJIHAFFBC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(nn1C)C(C)(C)C
Isomeric Smiles
n1(c(cc(n1)C(C)(C)C)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.612275
LogD (pH = 7.4)
2.6122983
Log P
2.6122985
Molar Refractivity
69.9067
Polarizability
22.465292
Polar Surface Area
44.12
Rotatable Bonds
4
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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