Molecule

ID:88415

General Information
Structure
Molecular Formula
C₁₂H₁₈N₂O₂
Molecular Mass
222.28352
Exact Mass
222.13682783
Charge
0
InChI
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14(4)13-10-8-6-5-7-9-10/h5-9,13H,1-4H3
InChIKey
VPBMXPVNDGEZHV-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)OC(C)(C)C)Nc1ccccc1
Isomeric Smiles
N(C)(C(=O)OC(C)(C)C)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
16.866089
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9688416
LogD (pH = 7.4)
2.9688416
Log P
2.9688416
Molar Refractivity
64.4724
Polarizability
24.413456
Polar Surface Area
41.57
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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